bpforms/alphabet/dna.yml
id: dna
name: DNA nucleotide monophosphates
description: The canonical DNA nucleotide monophosphates, plus the non-canonical DNA
nucleotide monophosphates based on <a href="https://hoffmanlab.org/proj/dnamod">DNAmod</a>
and <a href="http://repairtoire.genesilico.pl/damage/">REPAIRtoire</a>
monomers:
A:
id: adenine
name: adenine
synonyms:
- 2'-deoxyadenosine-5'-monophosphate
- DA
- '[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate'
- 2'-deoxy-5'-adenylic acid
- 6-aminopurine
- A
identifiers:
- ns: metacyc.compound
id: ADENINE
- ns: chebi
id: CHEBI:58245
- ns: pdb-ccd
id: DA
- ns: pubchem.compound
id: '190'
- ns: chebi
id: CHEBI:16708
structure: OC1CC(OC1COP(=O)([O-])[O-])n1cnc2c1ncnc2N
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
C:
id: cytosine
name: cytosine
synonyms:
- 2'-deoxy-5'-cytidylic acid
- C
- 4-amino-2-oxo-1,2-dihydropyrimidine
- DC
- '[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen
phosphate'
- 2'-deoxycytidine-5'-monophosphate
identifiers:
- ns: pdb-ccd
id: DC
- ns: chebi
id: CHEBI:57566
- ns: pubchem.compound
id: '597'
- ns: chebi
id: CHEBI:16040
- ns: metacyc.compound
id: CYTOSINE
structure: OC1CC(OC1COP(=O)([O-])[O-])n1ccc(nc1=O)N
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
G:
id: guanine
name: guanine
synonyms:
- G
- 2'-deoxy-5'-guanylic acid
- 2'-deoxyguanosine-5'-monophosphate
- '[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen
phosphate'
- DG
identifiers:
- ns: pubchem.compound
id: '764'
- ns: pdb-ccd
id: DG
- ns: chebi
id: CHEBI:57673
- ns: metacyc.compound
id: GUANINE
- ns: chebi
id: CHEBI:16235
structure: OC1CC(OC1COP(=O)([O-])[O-])n1cnc2c1nc(N)[nH]c2=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
T:
id: thymine
name: thymine
synonyms:
- 5-methyl-2,4(1H,3H)-pyrimidinedione
- 5'-thymidylic acid
- '[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
- DT
- thymidine-5'-monophosphate
- T
- 5-methyluracil
identifiers:
- ns: pubchem.compound
id: '1135'
- ns: chebi
id: CHEBI:26999
- ns: pdb-ccd
id: DT
- ns: metacyc.compound
id: THYMINE
- ns: chebi
id: CHEBI:17821
structure: OC1CC(OC1COP(=O)([O-])[O-])n1cc(C)c(=O)[nH]c1=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
U:
id: uracil
name: uracil
identifiers:
- ns: metacyc.compound
id: URACIL
- ns: pubchem.compound
id: '1174'
- ns: chebi
id: CHEBI:17568
- ns: chebi
id: CHEBI:246422
structure: OC1CC(OC1COP(=O)([O-])[O-])n1ccc(=O)[nH]c1=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
dI:
id: hypoxanthine
name: hypoxanthine
synonyms:
- 2'-deoxyinosine-5'-monophosphate
- deoxyinosine
- DI
- '[(2R,3S,5R)-3-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen
phosphate'
- I
- 2'-deoxy-5'-inosinic acid
identifiers:
- ns: pubchem.compound
id: '790'
- ns: chebi
id: CHEBI:28806
- ns: metacyc.compound
id: HYPOXANTHINE
- ns: chebi
id: CHEBI:17368
- ns: pdb-ccd
id: DI
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)([O-])[O-])n1cnc2c1nc[nH]c2=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 14
charge: -1
m2C:
id: 2-O-methylcytosine
name: 2-methoxypyrimidin-4-amine
comments: Pyrimidine substituted with a methoxy group at position C-2 and an amine
group at C-4.
synonyms:
- o-2-methylcytosine
- 4-amino-2-methoxypyrimidine
identifiers:
- ns: dnamod
id: 2-O-methylcytosine
- ns: chebi
id: CHEBI:70854
structure: COC1=NC(=CCN1C1CC(C(O1)COP(=O)([O-])[O-])O)N
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 20
l_bond_atoms:
- molecule: Monomer
element: P
position: 16
r_displaced_atoms:
- molecule: Monomer
element: H
position: 20
l_displaced_atoms:
- molecule: Monomer
element: O
position: 19
charge: -1
f:
id: 5-formylcytosine
name: 4-amino-2-oxo-1,2-dihydropyrimidine-5-carbaldehyde
comments: A nucleobase analogue that is cytosine in which the hydrogen at position
5 is replaced by a formyl group.
synonyms:
- '[(2R,3S,5R)-5-(4-amino-5-methanoyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- 5-formyl-2'-deoxy-cytidine-5'-monophosphate
- 4-amino-2-oxopyrimidine-5-carbaldehyde
- 2'-deoxy-5-formylcytidine 5'-(dihydrogen phosphate)
- cytosine-5-carbaldehyde
- C
- 5FC
identifiers:
- ns: pdb-ccd
id: 5FC
- ns: chebi
id: CHEBI:76794
- ns: dnamod
id: 5-formylcytosine
structure: O=Cc1cn([C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])[O-])O)c(=O)nc1N
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 20
l_bond_atoms:
- molecule: Monomer
element: P
position: 16
r_displaced_atoms:
- molecule: Monomer
element: H
position: 20
l_displaced_atoms:
- molecule: Monomer
element: O
position: 19
charge: -1
h:
id: 5-(hydroxymethyl)cytosine
name: 4-amino-5-(hydroxymethyl)pyrimidin-2(1H)-one
comments: A nucleobase analogue that is cytosine in which the hydrogen at position
5 is replaced by a hydroxymethyl group.
synonyms:
- 4-amino-5-(hydroxymethyl)-2(1h)-pyrimidinone
- 5HC
- 5-hydroxymethylcytosine
- '[(2R,3S,5R)-5-[4-azanyl-5-(hydroxymethyl)-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-deoxy-5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate)
identifiers:
- ns: chebi
id: CHEBI:76792
- ns: pdb-ccd
id: 5HC
- ns: dnamod
id: 5-(hydroxymethyl)cytosine
structure: OCc1cn([C@H]2C[C@H]([C@@H](O2)COP(=O)([O-])[O-])O)c(=O)nc1N
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 20
l_bond_atoms:
- molecule: Monomer
element: P
position: 16
r_displaced_atoms:
- molecule: Monomer
element: H
position: 20
l_displaced_atoms:
- molecule: Monomer
element: O
position: 19
charge: -1
e3C:
id: 3-ethylcytosine
name: 6-amino-1-ethylpyrimidin-2(1H)-one
comments: A pyrimidone that is cytosine substituted by an ethyl group at position
3.
identifiers:
- ns: chebi
id: CHEBI:74029
- ns: dnamod
id: 3-ethylcytosine
structure: CCN1C(=CCN(C1=O)C1CC(C(O1)COP(=O)([O-])[O-])O)N
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 21
l_bond_atoms:
- molecule: Monomer
element: P
position: 17
r_displaced_atoms:
- molecule: Monomer
element: H
position: 21
l_displaced_atoms:
- molecule: Monomer
element: O
position: 20
charge: -1
3mC:
id: 3-methylcytosine
name: 6-amino-1-methylpyrimidin-2(1H)-one
comments: A pyrimidone that is cytosine in which the hydrogen attached to the
nitrogen at position 3 is substituted by a methyl group. Occurs sparsely. Repaired
by a direct repair (DR) mechanism. Also repaired in RNA.
synonyms:
- 3-methyl-2'-deoxycytidine-5'-monophosphate
- 3mC
- n3-methylcytosine
identifiers:
- ns: chebi
id: CHEBI:39992
- ns: dnamod
id: 3-methylcytosine
- ns: repairtoire
id: 3mC
structure: OC1CC(OC1COP(=O)([O-])[O-])N1CC=C(N(C1=O)C)N
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
c:
id: 5-carboxycytosine
name: 4-amino-2-oxo-1,2-dihydropyrimidine-5-carboxylic acid
comments: A nucleobase analogue that is cytosine in which the hydrogen at position
5 is replaced by a carboxy group.
synonyms:
- 4-amino-2-oxopyrimidine-5-carboxylic acid
- cytosine-5-carboxylic acid
- 5-carboxylcytosine
identifiers:
- ns: dnamod
id: 5-carboxycytosine
- ns: chebi
id: CHEBI:76793
structure: OC1CC(OC1COP(=O)([O-])[O-])n1cc(C(=O)[O-])c(nc1=O)N
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
ɛC:
id: 3,N(4)-ethenocytosine
name: imidazo[1,2-c]pyrimidin-5(6H)-one
synonyms:
- 3,n(4)-ethanocytosine
- ethenocytosine
identifiers:
- ns: dnamod
id: 3,N(4)-ethenocytosine
- ns: chebi
id: CHEBI:29147
structure: OC1CC(OC1COP(=O)([O-])[O-])n1ccc2n(c1=O)ccn2
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
m:
id: 5-methylcytosine
name: 4-amino-5-methylpyrimidin-2(1H)-one
comments: A pyrimidine that is a derivative of cytosine, having a methyl group
at the 5-position.
synonyms:
- C
- '[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-deoxy-5-methylcytidine 5'-(dihydrogen phosphate)
- 4-amino-5-methyl-2(1h)-pyrimidinone
- 5-methyl-2'-deoxy-cytidine-5'-monophosphate
- 5CM
- 4-amino-5-methyl-2-pyrimidinol
identifiers:
- ns: dnamod
id: 5-methylcytosine
- ns: chebi
id: CHEBI:27551
- ns: pdb-ccd
id: 5CM
structure: O[C@H]1C[C@@H](O[C@H]1COP(=O)([O-])[O-])n1cc(C)c(nc1=O)N
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
4mC:
id: N(4)-methylcytosine
name: 4-(methylamino)pyrimidin-2(1H)-one
comments: A pyrimidone that is cytosine bearing an N(4)-methyl substituent. Repaired
by a direct repair (DR) mechanism.
synonyms:
- C
- 4-methyl-2'-deoxycytidine-5'-monophosphate
- 2'-deoxy-N-methylcytidine 5'-(dihydrogen phosphate)
- C34
- 4mC
- n4-methyl-2'-deoxy-cytidine-5'-monophosphate
- n(4)-methylcytosine
- 4-methylamino-1h-pyrimidin-2-one
- '[(2R,3S,5R)-3-hydroxy-5-(4-methylamino-2-oxo-pyrimidin-1-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: chebi
id: CHEBI:21839
- ns: dnamod
id: N(4)-methylcytosine
- ns: pdb-ccd
id: C34
- ns: repairtoire
id: 4mC
structure: CNc1ccn(c(=O)n1)[C@H]1C[C@H]([C@H](O1)COP(=O)([O-])[O-])O
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 24
l_bond_atoms:
- molecule: Monomer
element: P
position: 20
r_displaced_atoms:
- molecule: Monomer
element: H
position: 24
l_displaced_atoms:
- molecule: Monomer
element: O
position: 23
charge: -1
1mC:
id: 1-methylcytosine
name: 4-amino-1-methylpyrimidin-2(1H)-one
comments: A pyrimidone that is cytosine in which the hydrogen attached to the
nitrogen at position 1 is substituted by a methyl group.
identifiers:
- ns: dnamod
id: 1-methylcytosine
- ns: chebi
id: CHEBI:39624
structure: OC1CC(OC1COP(=O)([O-])[O-])[N+]1(C)C=CC(=NC1=O)N
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
5gmC:
id: 5-(beta-D-glucosylmethyl)cytosine
name: (4-amino-2-oxo-1,2-dihydropyrimidin-5-yl)methyl beta-D-glucopyranoside
comments: A beta-D-glucoside derived from formal condensation of the hydroxy group
of 5-(hydroxymethyl)cytosine with the anomeric hydroxy group of D-glucopyranose.
synonyms:
- beta-glucosyl-5-hydroxymethylcytosine
- beta-d-glucosyl-5-hydroxymethylcytosine
- 5-gmc
- 5-beta-d-glucosylmethylcytosine
- 5-glucosylmethylcytosine
identifiers:
- ns: chebi
id: CHEBI:131616
- ns: dnamod
id: 5-(beta-D-glucosylmethyl)cytosine
structure: OC[C@H]1O[C@@H](OCc2cn(C3CC(C(O3)COP(=O)([O-])[O-])O)c(=O)[nH]c2=N)[C@@H]([C@H]([C@@H]1O)O)O
base_monomers:
- h
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 24
l_bond_atoms:
- molecule: Monomer
element: P
position: 20
r_displaced_atoms:
- molecule: Monomer
element: H
position: 24
l_displaced_atoms:
- molecule: Monomer
element: O
position: 23
charge: -1
putThy:
id: alpha-putrescinylthymine
name: 5-{[(4-aminobutyl)amino]methyl}pyrimidine-2,4(1H,3H)-dione
comments: An N-substituted putrescine that is thymine in which a hydrogen of the
methyl group has been replaced by one of the amino groups of putrescine. It
replaces about half of the thymine residues in the DNA of bacetriophage phiW-14.
synonyms:
- n-thyminylputrescine
- 5-(4-aminobutylaminomethyl)uracil
- putthy
identifiers:
- ns: chebi
id: CHEBI:132931
- ns: dnamod
id: alpha-putrescinylthymine
structure: '[NH3+]CCCC[NH2+]Cc1cn(C2OC(C(C2)O)COP(=O)([O-])[O-])c(=O)[nH]c1=O'
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 21
l_bond_atoms:
- molecule: Monomer
element: P
position: 24
r_displaced_atoms:
- molecule: Monomer
element: H
position: 21
l_displaced_atoms:
- molecule: Monomer
element: O
position: 27
charge: -1
diHT:
id: 5,6-dihydrothymine
name: 5,6-dihydrothymine, 5-methyldihydropyrimidine-2,4(1H,3H)-dione
comments: A pyrimidone obtained by formal addition of hydrogen across the 5,6-position
of thymine.
synonyms:
- 5-methyl-5,6-dihydrouracil
- 5,6-dihydro-5-methyluracil
- dihydrothymine
identifiers:
- ns: dnamod
id: 5,6-dihydrothymine
- ns: chebi
id: CHEBI:27468
structure: OC1CC(OC1COP(=O)([O-])[O-])N1CC(C)C(=O)NC1=O
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
e:
id: 5-formyluracil
name: 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
comments: A pyrimidone resulting from the formal oxidation of the alcoholic hydroxy
group of 5-hydroxymethyluracil to the corresponding aldehyde. It is a major
one-electron photooxidation product of thymine in oligodeoxynucleotides.
synonyms:
- 5fu
- fou
- uracil 5-carbaldehyde
identifiers:
- ns: dnamod
id: 5-formyluracil
- ns: chebi
id: CHEBI:80961
structure: O=Cc1cn(C2CC(C(O2)COP(=O)([O-])[O-])O)c(=O)[nH]c1=O
base_monomers:
- T
- g
r_bond_atoms:
- molecule: Monomer
element: O
position: 17
l_bond_atoms:
- molecule: Monomer
element: P
position: 13
r_displaced_atoms:
- molecule: Monomer
element: H
position: 17
l_displaced_atoms:
- molecule: Monomer
element: O
position: 16
charge: -1
1mT:
id: 1,5-dimethyluracil
name: 1,5-dimethylpyrimidine-2,4(1H,3H)-dione
comments: A pyrimidone that is uracil with methyl group substituents at positions
1 and 5.
synonyms:
- 1-methylthymine
identifiers:
- ns: dnamod
id: 1,5-dimethyluracil
- ns: chebi
id: CHEBI:74765
structure: OC1CC(OC1COP(=O)([O-])[O-])[N+]1(C)C=C(C)C(=O)NC1=O
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
O4-meT:
id: O(4)-methylthymine
name: 4-methoxy-5-methylpyrimidin-2(1H)-one
comments: A methylthymine in which the methyl group is located at the O4-position.
synonyms:
- 4-methoxy-5-methylpyrimidin-2-one
- o-4-methylthymine
identifiers:
- ns: chebi
id: CHEBI:134100
- ns: dnamod
id: O(4)-methylthymine
structure: COc1nc(=O)n(cc1C)C1CC(C(O1)COP(=O)([O-])[O-])O
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 22
l_bond_atoms:
- molecule: Monomer
element: P
position: 18
r_displaced_atoms:
- molecule: Monomer
element: H
position: 22
l_displaced_atoms:
- molecule: Monomer
element: O
position: 21
charge: -1
3mT:
id: 3,5-dimethyluracil
name: 3,5-dimethylpyrimidine-2,4(1H,3H)-dione
comments: A pyrimidone that is uracil with methyl group substituents at positions
3 and 5. Repaired by a direct repair (DR) mechanism.
synonyms:
- 3-methylthymine
- 3mT
- 3-methyl-2'-deoxythymidine-5'-monophosphate
identifiers:
- ns: repairtoire
id: 3mT
- ns: dnamod
id: 3,5-dimethyluracil
- ns: chebi
id: CHEBI:74766
structure: OC1CC(OC1COP(=O)([O-])[O-])n1cc(C)c(=O)n(c1=O)C
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
xI:
id: hypoxanthine
name: 1,7-dihydro-6H-purin-6-one
comments: A purine nucleobase that consists of purine bearing an oxo substituent
at position 6.
synonyms:
- purine-6-ol
- purin-6(1h)-one
- 9h-purin-6(1h)-one
- 6-oxopurine
- hyp
- 6(1h)-purinone
identifiers:
- ns: chebi
id: CHEBI:17368
- ns: dnamod
id: hypoxanthine
structure: OC1CC(OC1COP(=O)([O-])[O-])N1CNC2C1NCNC2=O
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
6hmA:
id: 6-hydroxymethyladenine
name: (9H-purin-6-ylamino)methanol
comments: A 6-alkylaminopurine that is adenine where one of the hydrogens of the
amino group is replaced by a hydroxymethyl group.
synonyms:
- n(6)-hydroxymethyl-adenine
- n(6)-hydroxymethyladenine
identifiers:
- ns: chebi
id: CHEBI:142766
- ns: dnamod
id: 6-hydroxymethyladenine
structure: OCNc1ncnc2c1ncn2C1CC(C(O1)COP(=O)([O-])[O-])O
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 24
l_bond_atoms:
- molecule: Monomer
element: P
position: 20
r_displaced_atoms:
- molecule: Monomer
element: H
position: 24
l_displaced_atoms:
- molecule: Monomer
element: O
position: 23
charge: -1
ncm6A:
id: N(6)-carbamoylmethyladenine
name: N(2)-1H-purin-6-ylglycinamide
comments: A nucleobase analogue that is adenine in which one of the exocyclic
amino hydrogens is replaced by a carbamoylmethyl group.
synonyms:
- 2-(9h-purin-6-ylamino)acetamide
identifiers:
- ns: dnamod
id: N(6)-carbamoylmethyladenine
- ns: chebi
id: CHEBI:102525
structure: NC(=O)CNc1ncnc2c1ncn2C1CC(C(O1)COP(=O)([O-])[O-])O
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 26
l_bond_atoms:
- molecule: Monomer
element: P
position: 22
r_displaced_atoms:
- molecule: Monomer
element: H
position: 26
l_displaced_atoms:
- molecule: Monomer
element: O
position: 25
charge: -1
6-DMA:
id: N(6),N(6)-dimethyladenine
name: N,N-dimethyl-9H-purin-6-amine
comments: A tertiary amine that is adenine substituted at N-6 by geminal methyl
groups.
synonyms:
- 6-(dimethylamino)purine
- n,n-dimethyladenine
- n(6),n(6)-dimethyladenine
- 6-dimethylaminopurine
- n,n-dimethyl-1h-purin-6-amine
- n,n-dimethyl-6-aminopurine
- 6-dimethyladenine
- n(6)-dimethyladenine
identifiers:
- ns: chebi
id: CHEBI:60281
- ns: dnamod
id: N(6),N(6)-dimethyladenine
structure: OC1CC(OC1COP(=O)([O-])[O-])n1cnc2c1ncnc2N(C)C
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
m2A:
id: 9H-purine-2,6-diamine
name: ''
comments: A member of the class of 2,6-diaminopurines that is 9H-purine in which
the hydrogens at positions 2 and 6 are replaced by amino groups.
synonyms:
- 2,6-diaminopurine
- 2-aminoadenine
- 9h-purine-2,6-diamine
identifiers:
- ns: dnamod
id: 9H-purine-2,6-diamine
- ns: chebi
id: CHEBI:40235
structure: Nc1nc(N)c2c(n1)n(cn2)C1OC(C(C1)O)COP(=O)([O-])[O-]
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 17
l_bond_atoms:
- molecule: Monomer
element: P
position: 20
r_displaced_atoms:
- molecule: Monomer
element: H
position: 17
l_displaced_atoms:
- molecule: Monomer
element: O
position: 23
charge: -1
HAP:
id: N(6)-hydroxyadenine
name: N-hydroxy-1H-purin-6-amine
comments: A member of the class of 6-aminopurinnes that is adenine in which one
of the exocyclic amino hydrogens is replaced by a hydroxy group.
synonyms:
- 6-n-hydroxylaminopurine
- 6-hydroxyaminopurine
- hap
- n(6)-hydroxyadenine
- 6-hydroxylaminopurine
- n-(7h-purin-6-yl)hydroxylamine
- n-hydroxyadenine
identifiers:
- ns: dnamod
id: N(6)-hydroxyadenine
- ns: chebi
id: CHEBI:78235
structure: ONc1ncnc2c1ncn2C1CC(C(O1)COP(=O)([O-])[O-])O
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 23
l_bond_atoms:
- molecule: Monomer
element: P
position: 19
r_displaced_atoms:
- molecule: Monomer
element: H
position: 23
l_displaced_atoms:
- molecule: Monomer
element: O
position: 22
charge: -1
AHAP:
id: 2-amino-6-hydroxyaminopurine
name: N(6)-hydroxy-3H-purine-2,6-diamine
comments: A 2,6-diaminopurine that is the N(6)-hydroxy derivative of 2,6-diamino-3H-purine.
synonyms:
- guanine oxime
- 2-amino-n6-hydroxyadenine
- 2-amino-n(6)-hydroxyadenine
identifiers:
- ns: dnamod
id: 2-amino-6-hydroxyaminopurine
- ns: chebi
id: CHEBI:78685
structure: ONc1nc(N)nc2c1ncn2C1CC(C(O1)COP(=O)([O-])[O-])O
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 24
l_bond_atoms:
- molecule: Monomer
element: P
position: 20
r_displaced_atoms:
- molecule: Monomer
element: H
position: 24
l_displaced_atoms:
- molecule: Monomer
element: O
position: 23
charge: -1
3mHyp:
id: 3-methylhypoxanthine
name: 3-methyl-3,7-dihydro-6H-purin-6-one
comments: A methylhypoxanthine that is hypoxanthine with the methyl group at position
3.
synonyms:
- 3,7-dihydro-3-methyl-6h-purin-6-one
- 3-methyl-7h-purin-6(3h)-one
- 3-methyl-hypoxanthine
identifiers:
- ns: dnamod
id: 3-methylhypoxanthine
- ns: chebi
id: CHEBI:145739
structure: OC1CC(OC1COP(=O)([O-])[O-])n1cnc2c1n(C)cnc2=O
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
1mHyp:
id: 1-methylhypoxanthine
name: 1-methyl-1,7-dihydro-6H-purin-6-one
comments: A methylhypoxanthine that is hypoxanthine with the methyl group at position
1.
synonyms:
- 1,7-dihydro-1-methyl-6h-purin-6-one
- 1-methyl-1,9-dihydro-6h-purin-6-one
- 1-methyl-hypoxanthine
identifiers:
- ns: chebi
id: CHEBI:73959
- ns: dnamod
id: 1-methylhypoxanthine
structure: OC1CC(OC1COP(=O)([O-])[O-])N1CNC2C1NCN(C2=O)C
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
7mHyp:
id: 7-methylhypoxanthine
name: 7-methyl-1,7-dihydro-6H-purin-6-one
comments: A methylhypoxanthine that is hypoxanthine with the methyl group at position
7.
synonyms:
- 7-methyl-hypoxanthine
identifiers:
- ns: chebi
id: CHEBI:145737
- ns: dnamod
id: 7-methylhypoxanthine
structure: OC1CC(OC1COP(=O)([O-])[O-])n1c[n+](c2c1nc[nH]c2=O)C
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
9mHyp:
id: 9-methylhypoxanthine
name: 9-methyl-1,9-dihydro-6H-purin-6-one
comments: A methylhypoxanthine that is hypoxanthine with the methyl group at position
9.
synonyms:
- 9-methylpoxanthine
identifiers:
- ns: chebi
id: CHEBI:145736
- ns: dnamod
id: 9-methylhypoxanthine
structure: OC1CC(OC1COP(=O)([O-])[O-])[N+]1(C)C=NC2C1NCNC2
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
9mA:
id: 9-methyladenine
name: 9-methyl-9H-purin-6-amine
comments: Adenine substituted with a methyl group at position N-9.
synonyms:
- n9-methyladenine
identifiers:
- ns: chebi
id: CHEBI:40526
- ns: dnamod
id: 9-methyladenine
structure: OC1CC(OC1COP(=O)([O-])[O-])[N+]1(C)C=Nc2c1ncnc2N
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
1mA:
id: 1-methyladenine
name: 1-methyl-1H-purin-6-amine
comments: Adenine substituted with a methyl group at position N-1. Occurs sparsely.
Repaired by a direct repair (DR) mechanism. Also repaired in RNA.
synonyms:
- n1-methyladenine
- 1mA
- 1-methyl-2'-deoxyadenosine-5'-monophosphate
identifiers:
- ns: dnamod
id: 1-methyladenine
- ns: chebi
id: CHEBI:18083
- ns: repairtoire
id: 1mA
structure: OC1CC(OC1COP(=O)([O-])[O-])N1C=NC2=C(N(C=NC12)C)N
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
7mA:
id: 7-methyladenine
name: 7-methyl-7H-purin-6-amine
comments: Adenine substituted with a methyl group at position N-7. Occurs sparsely.
AlkB activity not confirmed.
synonyms:
- 7mA
- 7-methyl-2'-deoxyadenosine-5'-monophosphate
identifiers:
- ns: dnamod
id: 7-methyladenine
- ns: chebi
id: CHEBI:28921
- ns: repairtoire
id: 7mA
structure: OC1CC(OC1COP(=O)([O-])[O-])N1CN(c2c1nc[nH+]c2N)C
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
a:
id: 6-methyladenine
name: N-methyl-9H-purin-6-amine
comments: A methyladenine that is 9H-purin-6-amine substituted by a methyl group
at the amino nitrogen.
synonyms:
- 6-map
- 6-methylaminopurine
- n6-monomethyladenine
- n6-methyladenine
identifiers:
- ns: dnamod
id: 6-methyladenine
- ns: chebi
id: CHEBI:28871
structure: CNc1ncnc2c1ncn2C1CC(C(O1)COP(=O)([O-])[O-])O
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 23
l_bond_atoms:
- molecule: Monomer
element: P
position: 19
r_displaced_atoms:
- molecule: Monomer
element: H
position: 23
l_displaced_atoms:
- molecule: Monomer
element: O
position: 22
charge: -1
3mA:
id: 3-methyladenine
name: 3-methyl-3H-purin-6-amine, 3-methyladenine
comments: A methyladenine that is adenine substituted with a methyl group at
position N-3. Occurs frequently. Repaired by direct repair (DR) mechanisms.
AlkB activity not confirmed. Also repaired by the BER pathway.
synonyms:
- 3mA
- 6-amino-3-methylpurine
- 3-methyl-3h-adenine
- 3-methyl-2'-deoxyadenosine-5'-monophosphate
- 3-methyl-3h-purin-6-ylamine
identifiers:
- ns: chebi
id: CHEBI:38635
- ns: dnamod
id: 3-methyladenine
- ns: repairtoire
id: 3mA
structure: OC1CC(OC1COP(=O)([O-])[O-])N1C=NC2=C([NH+]=CN(C12)C)N
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
4mA:
id: 4-methyladenine
name: 4-methyl-4,7-dihydro-1H-purin-6-amine
comments: A methyladenine in which the methyl substituent is located at position
4.
identifiers:
- ns: dnamod
id: 4-methyladenine
- ns: chebi
id: CHEBI:134106
structure: OC1CC(OC1COP(=O)([O-])[O-])N1C=NC2=C(N=CNC12C)N
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
o:
id: 8-oxoguanine
name: 2-amino-1H-purine-6,8-dione
comments: An oxopurine that is guanine which is substituted by an oxo group at
position 8.
identifiers:
- ns: dnamod
id: 8-oxoguanine
- ns: chebi
id: CHEBI:44605
structure: OC1CC(OC1COP(=O)([O-])[O-])N1C(=O)N=C2C1N=C(N)NC2=O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
CEG:
id: N(2)-carboxyethylguanine
name: N-(6-oxo-6,9-dihydro-1H-purin-2-yl)alanine
comments: An alanine derivative consisting of alanine having a 6-oxo-6,9-dihydro-1H-purin-2-yl
group attached to the amino function.
synonyms:
- ceguanine
- n(2)-(1-carboxyethyl)guanine
identifiers:
- ns: dnamod
id: N(2)-carboxyethylguanine
- ns: chebi
id: CHEBI:62032
structure: '[O-]C(=O)C(Nc1[nH]c(=O)c2c(n1)n(cn2)C1CC(C(O1)COP(=O)([O-])[O-])O)C'
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 28
l_bond_atoms:
- molecule: Monomer
element: P
position: 24
r_displaced_atoms:
- molecule: Monomer
element: H
position: 28
l_displaced_atoms:
- molecule: Monomer
element: O
position: 27
charge: -1
N(2),3-ɛG:
id: N(2),3-ethenoguanine
name: 1H-imidazo(2,1-b)purin-4(5H)-one
comments: A nucleobase analogue obtained by addition of an etheno group across
positions N2 and 3 of guanine.
synonyms:
- n(2),3-epsilong
identifiers:
- ns: chebi
id: CHEBI:134095
- ns: dnamod
id: N(2),3-ethenoguanine
structure: OC1CC(OC1COP(=O)([O-])[O-])[N+]12C=CN=C1NC(=O)c1c2[nH]cn1
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
1,N(2)-ɛG:
id: 1,N(2)-ethenoguanine
name: 1,4-dihydro-9H-imidazo[1,2-a]purin-9-one
comments: A nucleobase analogue obtained by addition of an etheno group across
positions 1 and N2 of guanine.
synonyms:
- 1,n(2)-ethenoguanine
- 1,n(2)-epsilong
identifiers:
- ns: dnamod
id: 1,N(2)-ethenoguanine
- ns: chebi
id: CHEBI:134096
structure: OC1CC(OC1COP(=O)([O-])[O-])n1cnc2c1[nH]c1nccn1c2=O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
2mG:
id: N(2)-methylguanine
name: 2-(methylamino)-1,7-dihydro-6H-purin-6-one
comments: A methylguanine in which the methyl group is located at the N2-position.
synonyms:
- 2-methylamino-6-oxopurine
- 2-methylguanine
- 2-methyl-2'-deoxyguanosine-5'-monophosphate
- n-methyl-guanine
- 2mG
- 1,7-dihydro-2-(methylamino)-6h-purin-6-one
identifiers:
- ns: chebi
id: CHEBI:21818
- ns: repairtoire
id: 2mG
- ns: dnamod
id: N(2)-methylguanine
structure: CNc1[nH]c(=O)c2c(n1)n(cn2)C1CC(C(O1)COP(=O)([O-])[O-])O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 25
l_bond_atoms:
- molecule: Monomer
element: P
position: 21
r_displaced_atoms:
- molecule: Monomer
element: H
position: 25
l_displaced_atoms:
- molecule: Monomer
element: O
position: 24
charge: -1
m6G:
id: 6-O-methylguanine
name: 6-methoxy-7H-purin-2-amine
comments: A methylguanine in which the methyl group is positioned on the oxygen
at position 6. Formed in DNA by alkylation of the oxygen atom of guanine, most
often by N-nitroso compounds and sometimes due to methylation by other compounds
such as endogenous S-adenosylmethionine, it base-pairs to thymine rather than
cytidine, causing a G:C to A:T transition in DNA.
synonyms:
- 6-methoxy-1h-purine-2-amine
- G
- '[(2R,3S,5R)-5-(2-azanyl-6-methoxy-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- 6OG
- 6-methoxyguanine
- 6-o-methyl guanosine-5'-monophosphate
- o-(6)-methylguanine
- 9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methoxy-9H-purin-2-amine
- o(6)-methylguanine
- 2-amino-6-methoxypurine
identifiers:
- ns: dnamod
id: 6-O-methylguanine
- ns: pdb-ccd
id: 6OG
- ns: chebi
id: CHEBI:20689
structure: COc1nc(N)nc2c1ncn2[C@H]1C[C@@H]([C@H](O1)COP(=O)([O-])[O-])O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 27
l_bond_atoms:
- molecule: Monomer
element: P
position: 23
r_displaced_atoms:
- molecule: Monomer
element: H
position: 27
l_displaced_atoms:
- molecule: Monomer
element: O
position: 26
charge: -1
1mG:
id: 1-methylguanine
name: 2-amino-1-methyl-1,9-dihydro-6H-purin-6-one
comments: Repaired by a direct repair (DR) mechanism.
synonyms:
- 2'-deoxy-1-methylguanosine 5'-(dihydrogen phosphate)
- G
- 1-methyl-2'-deoxyguanosine-5'-monophosphate
- '[(2R,3S,5R)-5-(2-amino-1-methyl-6-oxo-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- MG1
- n1-methylguanine
- 1mG
identifiers:
- ns: chebi
id: CHEBI:21803
- ns: dnamod
id: 1-methylguanine
- ns: pdb-ccd
id: MG1
- ns: repairtoire
id: 1mG
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)([O-])[O-])n1cnc2c1nc(N)n(c2=O)C
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 14
charge: -1
dhpUra:
id: 5-(4,5-dihydroxypentyl)uracil
name: 5-(4,5-dihydroxypentyl)pyrimidine-2,4(1H,3H)-dione
comments: A nucleobase analogue that is uracil substituted at position 5 by a
4,5-dihydroxypentyl group.
identifiers:
- ns: dnamod
id: 5-(4,5-dihydroxypentyl)uracil
- ns: chebi
id: CHEBI:132195
structure: OCC(CCCc1cn(C2CC(C(O2)COP(=O)([O-])[O-])O)c(=O)[nH]c1=O)O
base_monomers:
- U
r_bond_atoms:
- molecule: Monomer
element: O
position: 21
l_bond_atoms:
- molecule: Monomer
element: P
position: 17
r_displaced_atoms:
- molecule: Monomer
element: H
position: 21
l_displaced_atoms:
- molecule: Monomer
element: O
position: 20
charge: -1
b:
id: uracil-5-carboxylic acid
name: 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
synonyms:
- 2,4-dihydroxy-5-pyrimidinecarboxylic acid
- uracil 5-carboxylate
- isoorotic acid
- steviolbioside
- 5-carboxyuracil
- uracil 5-carboxylic acid
identifiers:
- ns: dnamod
id: uracil-5-carboxylic acid
- ns: chebi
id: CHEBI:17477
structure: OC1CC(OC1COP(=O)([O-])[O-])n1cc(C(=O)[O-])c(=O)[nH]c1=O
base_monomers:
- U
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 9
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 12
charge: -1
g:
id: 5-hydroxymethyluracil
name: 5-(hydroxymethyl)pyrimidine-2,4(1H,3H)-dione
comments: A primary alcohol that is uracil bearing a hydroxymethyl substituent
at the 5-position.
synonyms:
- 5-(hydroxymethyl)uracil
- 5-hydroxymethyl uracil
- 5-(hydroxymethyl)-2,4(1h,3h)-pyrimidinedione
identifiers:
- ns: chebi
id: CHEBI:16964
- ns: dnamod
id: 5-hydroxymethyluracil
structure: OCc1cn(C2CC(C(O2)COP(=O)([O-])[O-])O)c(=O)[nH]c1=O
base_monomers:
- U
r_bond_atoms:
- molecule: Monomer
element: O
position: 17
l_bond_atoms:
- molecule: Monomer
element: P
position: 13
r_displaced_atoms:
- molecule: Monomer
element: H
position: 17
l_displaced_atoms:
- molecule: Monomer
element: O
position: 16
charge: -1
1,N2-ethenoG:
id: 1,N2-ethenoG
name: 1,N2-etheno-2'-deoxyguanosine-5'-monophosphate
comments: Arise as side products of lipid peroxidation under oxidative stress.
exocyclic adducts are repaired with an epoxide intermediate, that is hydrolyzed
to the repaired base + CHO-CHO.
identifiers:
- ns: repairtoire
id: 1,N2-ethenoG
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1cnc2c1nc1[nH]ccn1c2=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
1,N6-ethenoA:
id: 1,N6-ethenoA
name: 1,N6-etheno-2'-deoxyadenosine-5'-monophosphate
identifiers:
- ns: repairtoire
id: 1,N6-ethenoA
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1cnc2c1nc[n+]1c2[nH]cc1
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
1eA:
id: 1eA
name: 1-ethyl-2'-deoxyadenosine-5'-monophosphate
identifiers:
- ns: repairtoire
id: 1eA
structure: CC[n+]1cnc2c(c1N)ncn2[C@H]1C[C@@H]([C@H](O1)COP(=O)([O-])[O-])O
r_bond_atoms:
- molecule: Monomer
element: O
position: 27
l_bond_atoms:
- molecule: Monomer
element: P
position: 23
r_displaced_atoms:
- molecule: Monomer
element: H
position: 27
l_displaced_atoms:
- molecule: Monomer
element: O
position: 26
charge: -1
1heA:
id: 1heA
name: 1-hydroxyethyl-2'-deoxyadenosine-5'-monophosphate
identifiers:
- ns: repairtoire
id: 1heA
structure: OCC[n+]1cnc2c(c1N)ncn2[C@H]1C[C@@H]([C@H](O1)COP(=O)([O-])[O-])O
r_bond_atoms:
- molecule: Monomer
element: O
position: 28
l_bond_atoms:
- molecule: Monomer
element: P
position: 24
r_displaced_atoms:
- molecule: Monomer
element: H
position: 28
l_displaced_atoms:
- molecule: Monomer
element: O
position: 27
charge: -1
1hpA:
id: 1hpA
name: 1-hydroxypropyl-2'-deoxyadenosine-5'-monophosphate
identifiers:
- ns: repairtoire
id: 1hpA
structure: OCCC[n+]1cnc2c(c1N)ncn2[C@H]1C[C@@H]([C@H](O1)COP(=O)([O-])[O-])O
r_bond_atoms:
- molecule: Monomer
element: O
position: 29
l_bond_atoms:
- molecule: Monomer
element: P
position: 25
r_displaced_atoms:
- molecule: Monomer
element: H
position: 29
l_displaced_atoms:
- molecule: Monomer
element: O
position: 28
charge: -1
1pA:
id: 1pA
name: 1-propyl-2'-deoxyadenosine-5'-monophosphate
identifiers:
- ns: repairtoire
id: 1pA
structure: CCC[n+]1cnc2c(c1N)ncn2[C@H]1C[C@@H]([C@H](O1)COP(=O)([O-])[O-])O
r_bond_atoms:
- molecule: Monomer
element: O
position: 28
l_bond_atoms:
- molecule: Monomer
element: P
position: 24
r_displaced_atoms:
- molecule: Monomer
element: H
position: 28
l_displaced_atoms:
- molecule: Monomer
element: O
position: 27
charge: -1
dU:
id: dU
name: 2'-deoxyuridine-5'-monophosphate
comments: A pyrimidine 2'-deoxyribonucleoside having uracil as the nucleobase.
Cysteine spontaneously loses an amine group, which is replaced by a keto group
at the C4-atom. This reaction occurs spontaneously and all the time, and is
the reason why T is used in DNA. This way, dU and T can be distinguished from
each other.
synonyms:
- deoxyuridine
- U
- 2'-deoxyuridine-5'-monophosphate
- dU
- '[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen
phosphate'
- 1-(2-deoxy-beta-D-erythro-pentofuranosyl)uracil
- DU
- 2'-deoxy-5'-uridylic acid
- 2-deoxyuridine
- 2'-deoxyuridine
identifiers:
- ns: repairtoire
id: dU
- ns: pdb-ccd
id: DU
- ns: chebi
id: CHEBI:16450
- ns: dnamod
id: 2'-deoxyuridine
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)([O-])[O-])n1ccc(=O)[nH]c1=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 14
charge: -1
3,N4-ethenoC:
id: 3,N4-ethenoC
name: 3,N4-etheno-2'-deoxycytidine-5'-monophosphate
synonyms:
- '[(2R,3S,5R)-3-oxidanyl-5-(5-oxidanylideneimidazo[1,2-c]pyrimidin-6-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
- n3,n4-etheno-2'-deoxycytidine-5'-monophosphate
- EDC
- 6-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)imidazo[1,2-c]pyrimidin-5(6H)-one
identifiers:
- ns: pdb-ccd
id: EDC
- ns: repairtoire
id: 3,N4-ethenoC
structure: O[C@@H]1C[C@@H](O[C@H]1COP(=O)([O-])[O-])n1ccc2n(c1=O)ccn2
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 14
charge: -1
3eC:
id: 3eC
name: 3-ethyl-2'-deoxycytidine-5'-monophosphate
identifiers:
- ns: repairtoire
id: 3eC
structure: CC[n+]1c(N)ccn(c1=O)[C@H]1C[C@@H]([C@H](O1)COP(=O)([O-])[O-])O
r_bond_atoms:
- molecule: Monomer
element: O
position: 25
l_bond_atoms:
- molecule: Monomer
element: P
position: 21
r_displaced_atoms:
- molecule: Monomer
element: H
position: 25
l_displaced_atoms:
- molecule: Monomer
element: O
position: 24
charge: -1
3heC:
id: 3heC
name: 3-hydroxyethyl-2'-deoxycytidine-5'-monophosphate
identifiers:
- ns: repairtoire
id: 3heC
structure: OCC[n+]1c(N)ccn(c1=O)[C@H]1C[C@@H]([C@H](O1)COP(=O)([O-])[O-])O
r_bond_atoms:
- molecule: Monomer
element: O
position: 26
l_bond_atoms:
- molecule: Monomer
element: P
position: 22
r_displaced_atoms:
- molecule: Monomer
element: H
position: 26
l_displaced_atoms:
- molecule: Monomer
element: O
position: 25
charge: -1
3hpC:
id: 3hpC
name: 3-hydroxypropyl-2'-deoxycytidine-5'-monophosphate
identifiers:
- ns: repairtoire
id: 3hpC
structure: OCCC[n+]1c(N)ccn(c1=O)[C@H]1C[C@@H]([C@H](O1)COP(=O)([O-])[O-])O
r_bond_atoms:
- molecule: Monomer
element: O
position: 27
l_bond_atoms:
- molecule: Monomer
element: P
position: 23
r_displaced_atoms:
- molecule: Monomer
element: H
position: 27
l_displaced_atoms:
- molecule: Monomer
element: O
position: 26
charge: -1
3mG:
id: 3mG
name: 3-methyl-2'-deoxyguanosine-5'-monophosphate
comments: Occurs sparsely.
identifiers:
- ns: repairtoire
id: 3mG
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1cnc2c1[n+](C)c([nH]c2=O)N
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
3pC:
id: 3pC
name: 3-propyl-2'-deoxycytidine-5'-monophosphate
identifiers:
- ns: repairtoire
id: 3pC
structure: CCC[n+]1c(N)ccn(c1=O)[C@H]1C[C@@H]([C@H](O1)COP(=O)([O-])[O-])O
r_bond_atoms:
- molecule: Monomer
element: O
position: 26
l_bond_atoms:
- molecule: Monomer
element: P
position: 22
r_displaced_atoms:
- molecule: Monomer
element: H
position: 26
l_displaced_atoms:
- molecule: Monomer
element: O
position: 25
charge: -1
thymidine glycol:
id: thymidine glycol
name: 5,6-dihydroxy-5,6-dihydrothymidine-5'-monophosphate
comments: One of the principal DNA lesions induced by oxidation and ionizing radiation,
has been investigated in Escherichia coli. Thymine glycol was positioned at
a unique site in the single-stranded genome of a bacteriophage M13mp19 derivative.
Replication of the genome in E. coli yielded targeted mutations at a frequency
of 0.3%; the mutations were exclusively T to C transitions.
synonyms:
- '[(2R,3S,5R)-5-[(5R,6S)-5,6-dihydroxy-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- (5r,6s)-5,6-dihydro-5,6-dihydroxythymidine-5'-monophosphate
- CTG
- T
- 5,6-dihydroxythymidine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: CTG
- ns: repairtoire
id: thymidine glycol
structure: O[C@@H]1C[C@@H](O[C@H]1COP(=O)([O-])[O-])N1C(=O)NC(=O)[C@]([C@H]1O)(C)O
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 14
charge: -1
6mA:
id: 6mA
name: 6-methyl-2'-deoxyadenosine-5'-monophosphate
comments: AlkB activity not confirmed
synonyms:
- '[(2R,3S,5R)-3-hydroxy-5-[6-(methylamino)purin-9-yl]oxolan-2-yl]methyl dihydrogen
phosphate'
- n6-methyl-deoxy-adenosine-5'-monophosphate
- 2'-deoxy-N-methyladenosine 5'-(dihydrogen phosphate)
- 6MA
- A
identifiers:
- ns: pdb-ccd
id: 6MA
- ns: repairtoire
id: 6mA
structure: CNc1ncnc2c1ncn2[C@@H]1C[C@@H]([C@H](O1)COP(=O)([O-])[O-])O
r_bond_atoms:
- molecule: Monomer
element: O
position: 26
l_bond_atoms:
- molecule: Monomer
element: P
position: 22
r_displaced_atoms:
- molecule: Monomer
element: H
position: 26
l_displaced_atoms:
- molecule: Monomer
element: O
position: 24
charge: -1
7mG:
id: 7mG
name: 7-methyl-2'-deoxyguanosine-5'-monophosphate
comments: Occurs frequently.
identifiers:
- ns: repairtoire
id: 7mG
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1c[n+](c2c1nc(N)[nH]c2=O)C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
8mG:
id: 8mG
name: 8-methyl-2'-deoxyguanosine-5'-monophosphate
comments: Repaired by a direct repair (DR) mechanism.
identifiers:
- ns: repairtoire
id: 8mG
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1c(C)nc2c1nc(N)[nH]c2=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
O2mT:
id: O2mT
name: O2-methyl-2'-deoxythymidine-5'-monophosphate
comments: AlkB activity not confirmed.
identifiers:
- ns: repairtoire
id: O2mT
structure: CO[C@@H]1NC(=O)C(=CN1[C@H]1C[C@@H]([C@H](O1)COP(=O)([O-])[O-])O)C
r_bond_atoms:
- molecule: Monomer
element: O
position: 25
l_bond_atoms:
- molecule: Monomer
element: P
position: 21
r_displaced_atoms:
- molecule: Monomer
element: H
position: 25
l_displaced_atoms:
- molecule: Monomer
element: O
position: 24
charge: -1
O4mT:
id: O4mT
name: O4-methyl-2'-deoxythymidine-5'-monophosphate
comments: Occurs sparsely. Repaired by the NER pathway.
identifiers:
- ns: repairtoire
id: O4mT
structure: CO[C@@H]1NC(=O)N(C=C1C)[C@H]1C[C@@H]([C@H](O1)COP(=O)([O-])[O-])O
r_bond_atoms:
- molecule: Monomer
element: O
position: 26
l_bond_atoms:
- molecule: Monomer
element: P
position: 22
r_displaced_atoms:
- molecule: Monomer
element: H
position: 26
l_displaced_atoms:
- molecule: Monomer
element: O
position: 25
charge: -1
O6mG:
id: O6mG
name: O6-methyl-2'-deoxyguanosine-5'-monophosphate
comments: Occurs frequently. Repaired by a direct repair (DR) mechanism.
identifiers:
- ns: repairtoire
id: O6mG
structure: CO[C@@H]1NC(=[NH+]c2c1ncn2[C@H]1C[C@@H]([C@H](O1)COP(=O)([O-])[O-])O)N
r_bond_atoms:
- molecule: Monomer
element: O
position: 28
l_bond_atoms:
- molecule: Monomer
element: P
position: 24
r_displaced_atoms:
- molecule: Monomer
element: H
position: 28
l_displaced_atoms:
- molecule: Monomer
element: O
position: 27
charge: -1
02I:
id: 02I
name: (6s,7s,8s,10r)-4-amino-8-hydroxy-7,8,9,10-tetrahydro-6h-7,10-epoxyazepino[1,2-e]purin-6-yl
dihydrogen phosphate
synonyms:
- (6S,7S,8S,10R)-4-amino-8-hydroxy-7,8,9,10-tetrahydro-6H-7,10-epoxyazepino[1,2-e]purin-6-yl
dihydrogen phosphate
identifiers:
- ns: pdb-ccd
id: 02I
structure: O[C@H]1C[C@H]2O[C@@H]1[C@@H](OP(=O)([O-])[O-])c1n2c2ncnc(c2n1)N
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 13
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
0AD:
id: 0AD
name: 2'-deoxy-n-propylguanosine 5'-(dihydrogen phosphate)
synonyms:
- G
- '[(2R,3S,5R)-3-hydroxy-5-(6-oxo-2-propylamino-1H-purin-9-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-deoxy-N-propylguanosine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: 0AD
structure: CCCNc1[nH]c(=O)c2c(n1)n(cn2)[C@@H]1C[C@@H]([C@H](O1)COP(=O)(O)O)O
base_monomers:
- G
0AP:
id: 0AP
name: 2'-deoxycytidine 3',5'-bis(dihydrogen phosphate)
synonyms:
- 2'-deoxycytidine 3',5'-bis(dihydrogen phosphate)
- '[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-phosphonooxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- C
identifiers:
- ns: pdb-ccd
id: 0AP
structure: Nc1ccn(c(=O)n1)[C@@H]1C[C@@H]([C@H](O1)COP(=O)(O)O)OP(=O)(O)O
base_monomers:
- C
0KZ:
id: 0KZ
name: '[(1r,2s,4s,5s)-2-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)bicyclo[3.1.0]hex-1-yl]methyl
dihydrogen phosphate'
synonyms:
- '[(1R,2S,4S,5S)-2-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)bicyclo[3.1.0]hex-1-yl]methyl
dihydrogen phosphate'
- '[(1S,2S,4S)-2-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-5-bicyclo[3.1.0]hexanyl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 0KZ
structure: O[C@@H]1C[C@H]([C@@H]2[C@@]1(COP(=O)(O)O)C2)n1cc(C)c(=O)[nH]c1=O
0R8:
id: 0R8
name: '[(2s,5r)-5-{4-amino-5-[(4-ethynylphenyl)ethynyl]-2-oxopyrimidin-1(2h)-yl}tetrahydrofuran-2-yl]methyl
dihydrogen phosphate'
synonyms:
- '[(2S,5R)-5-{4-amino-5-[(4-ethynylphenyl)ethynyl]-2-oxopyrimidin-1(2H)-yl}tetrahydrofuran-2-yl]methyl
dihydrogen phosphate'
- '[(2S,5R)-5-[4-azanyl-5-[2-(4-ethynylphenyl)ethynyl]-2-oxidanylidene-pyrimidin-1-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 0R8
structure: C#Cc1ccc(cc1)C#Cc1cn([C@H]2CC[C@@H](O2)COP(=O)([O-])[O-])c(=O)nc1N
base_monomers:
- C
l_bond_atoms:
- molecule: Monomer
element: P
position: 23
l_displaced_atoms:
- molecule: Monomer
element: O
position: 26
charge: -1
18Q:
id: 18Q
name: 2'-deoxy-5-[(thiophen-2-ylmethyl)carbamoyl]uridine 5'-(dihydrogen phosphate)
synonyms:
- '[(2R,3S,5R)-5-[2,4-bis(oxidanylidene)-5-(thiophen-2-ylmethylcarbamoyl)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-deoxy-5-[(thiophen-2-ylmethyl)carbamoyl]uridine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: 18Q
structure: O[C@@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1cc(C(=O)NCc2cccs2)c(=O)[nH]c1=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 14
charge: -1
1AP:
id: 1AP
name: 2,6-diaminopurine nucleotide
synonyms:
- '[(2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen
phosphate'
- 2-amino-2'-deoxyadenosine 5'-(dihydrogen phosphate)
- A
identifiers:
- ns: pdb-ccd
id: 1AP
structure: Nc1nc(N)c2c(n1)n(cn2)[C@H]1O[C@@H]([C@@H](C1)O)COP(=O)(O)O
base_monomers:
- A
1CC:
id: 1CC
name: 5-carboxy-2'-deoxycytidine monophosphate
synonyms:
- 4-azanyl-2-oxidanylidene-1-[(2R,4S,5R)-4-oxidanyl-5-(phosphonooxymethyl)oxolan-2-yl]pyrimidine-5-carboxylic
acid
- 5-carboxy-2'-deoxycytidine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: 1CC
structure: O[C@H]1C[C@@H](O[C@H]1COP(=O)(O)O)n1cc(C(=O)O)c(nc1=O)N
base_monomers:
- C
1FC:
id: 1FC
name: 4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-5-carboxylic
acid
synonyms:
- 4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-5-carboxylic
acid
- 4-azanyl-1-[(2R,3S,4R,5R)-3-fluoranyl-4-oxidanyl-5-(phosphonooxymethyl)oxolan-2-yl]-2-oxidanylidene-pyrimidine-5-carboxylic
acid
identifiers:
- ns: pdb-ccd
id: 1FC
structure: O[C@H]1[C@@H](COP(=O)(O)O)O[C@H]([C@H]1F)n1cc(C(=O)O)c(nc1=O)N
base_monomers:
- C
1TL:
id: 1TL
name: 1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-alpha-l-mannofuranosyl}pyrimidine-2,4(1h,3h)-dione
synonyms:
- 1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-alpha-L-mannofuranosyl}pyrimidine-2,4(1H,3H)-dione
- '[(1R,3S,4R,6R,7S)-6-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-methyl-7-oxidanyl-2,5-dioxabicyclo[2.2.1]heptan-4-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 1TL
structure: C[C@H]1O[C@H]2[C@@H]([C@]1(COP(=O)([O-])[O-])O[C@@H]2n1ccc(=O)[nH]c1=O)O
r_bond_atoms:
- molecule: Monomer
element: O
position: 28
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 28
l_displaced_atoms:
- molecule: Monomer
element: O
position: 14
charge: -1
1TW:
id: 1TW
name: 2-amino-9-(2-se-methyl-5-o-phosphono-2-seleno-beta-d-arabinofuranosyl)-1,9-dihydro-6h-purin-6-one
synonyms:
- '[(2R,3R,4S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-4-methylselanyl-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- 2-amino-9-(2-Se-methyl-5-O-phosphono-2-seleno-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one
identifiers:
- ns: pdb-ccd
id: 1TW
structure: C[Se][C@@H]1[C@H](O)[C@@H](O[C@@H]1n1cnc2c1nc(N)[nH]c2=O)COP(=O)(O)O
1W5:
id: 1W5
name: (1r)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-2-deoxy-5-o-phosphono-d-erythro-pentitol
synonyms:
- '[(2~{R},3~{S},5~{R})-5-(6-azanyl-5-nitro-2-oxidanyl-pyridin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- (1R)-1-(6-amino-2-hydroxy-5-nitropyridin-3-yl)-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol
identifiers:
- ns: pdb-ccd
id: 1W5
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)([O-])[O-])c1cc([N+](=O)[O-])c(nc1O)N
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
1WA:
id: 1WA
name: 2-amino-8-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-hydroxy-1h-imidazo[1,2-a][1,3,5]triazine-5,8-diium
synonyms:
- '[(2R,3S,5R)-5-(2-azanyl-4-oxidanyl-1H-imidazo[1,2-a][1,3,5]triazine-5,8-diium-8-yl)-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- 2-amino-8-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-hydroxy-1H-imidazo[1,2-a][1,3,5]triazine-5,8-diium
identifiers:
- ns: pdb-ccd
id: 1WA
structure: O[C@@H]1C[C@@H](O[C@H]1COP(=O)([O-])[O-])[n+]1cc[n+]2c1[nH]c(N)nc2O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 14
charge: -1
2AR:
id: 2AR
name: 2'-deoxyaristeromycin-5'-phosphate
synonyms:
- '[(1R,2S,4R)-4-(6-amino-9H-purin-9-yl)-2-hydroxycyclopentyl]methyl dihydrogen
phosphate'
- '[(1R,2S,4R)-4-(6-aminopurin-9-yl)-2-hydroxy-cyclopentyl]methyl dihydrogen phosphate'
- A
identifiers:
- ns: pdb-ccd
id: 2AR
structure: O[C@@H]1C[C@@H](C[C@@H]1COP(=O)([O-])[O-])n1cnc2c1ncnc2N
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
2BD:
id: 2BD
name: n1-(1-hydroxy-3-buten-2(s)-yl)-2'-deoxyinosine mono phosphoric acid
synonyms:
- 2'-deoxy-1-[(1S)-1-(hydroxymethyl)prop-2-en-1-yl]inosine 5'-(dihydrogen phosphate)
- I
- '[(2R,5R)-3-hydroxy-5-[1-[(2S)-1-hydroxybut-3-en-2-yl]-6-oxo-purin-9-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 2BD
structure: OC[C@@H](n1cnc2c(c1=O)ncn2[C@H]1C[C@H]([C@H](O1)COP(=O)([O-])[O-])O)C=C
r_bond_atoms:
- molecule: Monomer
element: O
position: 29
l_bond_atoms:
- molecule: Monomer
element: P
position: 25
r_displaced_atoms:
- molecule: Monomer
element: H
position: 29
l_displaced_atoms:
- molecule: Monomer
element: O
position: 28
charge: -1
2BU:
id: 2BU
name: (2s,3s)-n6-(2,3,4-trihydroxybutyl)-2'-deoxyadenosine mono phosphoric acid
synonyms:
- 2'-deoxy-N-[(2R,3S)-2,3,4-trihydroxybutyl]adenosine 5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-3-hydroxy-5-[6-[[(2R,3S)-2,3,4-trihydroxybutyl]amino]purin-9-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
- A
identifiers:
- ns: pdb-ccd
id: 2BU
structure: OC[C@@H]([C@@H](CNc1ncnc2c1ncn2[C@H]1C[C@H]([C@H](O1)COP(=O)([O-])[O-])O)O)O
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 32
l_bond_atoms:
- molecule: Monomer
element: P
position: 28
r_displaced_atoms:
- molecule: Monomer
element: H
position: 32
l_displaced_atoms:
- molecule: Monomer
element: O
position: 31
charge: -1
2DA:
id: 2DA
name: 2',3'-dideoxyadenosine-5'-monophosphate
synonyms:
- '[(2S,5R)-5-(6-amino-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate'
- A
- '[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 2DA
structure: Nc1ncnc2c1ncn2[C@@H]1CC[C@H](O1)COP(=O)([O-])[O-]
base_monomers:
- A
l_bond_atoms:
- molecule: Monomer
element: P
position: 20
l_displaced_atoms:
- molecule: Monomer
element: O
position: 23
charge: -1
2DF:
id: 2DF
name: n-(2-deoxy-beta-d-erytho-pentofuranosyl-5-phosphate) formamide
synonyms:
- N
- '[(2R,3S,5R)-5-formamido-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate'
- 2-deoxy-N-formyl-5-O-phosphono-beta-D-erythro-pentofuranosylamine
identifiers:
- ns: pdb-ccd
id: 2DF
structure: O=CN[C@H]1C[C@H]([C@H](O1)COP(=O)(O)O)O
2DM:
id: 2DM
name: 2-hydroxy-3-(pyren-1-ylmethoxy)propyl dihydrogen phosphate
synonyms:
- N
- '[(2S)-2-hydroxy-3-(pyren-1-ylmethoxy)propyl] dihydrogen phosphate'
- (2S)-2-hydroxy-3-(pyren-1-ylmethoxy)propyl dihydrogen phosphate
identifiers:
- ns: pdb-ccd
id: 2DM
structure: O[C@@H](COP(=O)([O-])[O-])COCc1ccc2c3c1ccc1c3c(cc2)ccc1
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 6
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 9
charge: -1
2DT:
id: 2DT
name: 3'-deoxythymidine-5'-monophosphate
synonyms:
- '[(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen
phosphate'
- '[(2S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl
dihydrogen phosphate'
- T
identifiers:
- ns: pdb-ccd
id: 2DT
structure: O=c1[nH]c(=O)n(cc1C)[C@H]1CC[C@H](O1)COP(=O)([O-])[O-]
base_monomers:
- T
l_bond_atoms:
- molecule: Monomer
element: P
position: 20
l_displaced_atoms:
- molecule: Monomer
element: O
position: 23
charge: -1
2EG:
id: 2EG
name: 2'-deoxy-n-ethylguanosine 5'-phosphate
synonyms:
- G
- '[(2R,3S,5R)-5-(2-ethylamino-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-deoxy-N-ethylguanosine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: 2EG
structure: CCNc1[nH]c(=O)c2c(n1)n(cn2)[C@@H]1C[C@@H]([C@H](O1)COP(=O)(O)O)O
2FE:
id: 2FE
name: 2'-fluoro-2'-deoxy-1,n6-ethenoadenine
synonyms:
- N
- '[(2R,3R,4S,5R)-4-fluoro-3-hydroxy-5-imidazo[2,1-f]purin-3-yl-oxolan-2-yl]methyl
dihydrogen phosphate'
- 3-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-3H-imidazo[2,1-i]purine
identifiers:
- ns: pdb-ccd
id: 2FE
structure: F[C@H]1[C@H](O)[C@@H](O[C@H]1n1cnc2c1ncn1c2ncc1)COP(=O)(O)O
r_bond_atoms:
- molecule: Monomer
element: O
position: 6
r_displaced_atoms:
- molecule: Monomer
element: H
position: 6
2FI:
id: 2FI
name: 2'-fluoro-2'-deoxyinosine
synonyms:
- N
- 9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one
- '[(2R,3R,4S,5R)-4-fluoro-3-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 2FI
structure: O[C@@H]1[C@H](COP(=O)(O)O)O[C@H]([C@H]1F)n1cnc2c1nc[nH]c2=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
2GF:
id: 2GF
name: '[(2r,5r)-5-(4-amino-5-chloro-2-oxopyrimidin-1(2h)-yl)-3-oxotetrahydrofuran-2-yl]methyl
dihydrogen phosphate'
synonyms:
- '[(2R,5R)-5-(4-amino-5-chloro-2-oxopyrimidin-1(2H)-yl)-3-oxotetrahydrofuran-2-yl]methyl
dihydrogen phosphate'
- '[(2R,5R)-5-(4-azanyl-5-chloranyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanylidene-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 2GF
structure: O=C1C[C@@H](O[C@H]1COP(=O)(O)O)n1cc(Cl)c(nc1=O)N
2IA:
id: 2IA
name: 2'-deoxy-2'-iodoadenosine 5'-(dihydrogen phosphate)
synonyms:
- 2'-deoxy-2'-iodoadenosine 5'-(dihydrogen phosphate)
- '[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-iodanyl-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 2IA
structure: O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H]([C@@H]1I)n1cnc2c1ncnc2N
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
2JU:
id: 2JU
name: 2'-deoxy-5-[(naphthalen-1-ylmethyl)carbamoyl]uridine 5'-(dihydrogen phosphate)
synonyms:
- 2'-deoxy-5-[(naphthalen-1-ylmethyl)carbamoyl]uridine 5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-5-[5-(naphthalen-1-ylmethylcarbamoyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 2JU
structure: O[C@@H]1C[C@H](O[C@H]1COP(=O)(O)O)n1cc(C(=O)NCc2cccc3c2cccc3)c(=O)[nH]c1=O
2JV:
id: 2JV
name: n-(8-aminopyren-1-yl)-2'-deoxy-5'-o-(trihydroxy-lambda~5~-phosphanyl)guanosine
synonyms:
- N-(8-aminopyren-1-yl)-2'-deoxy-5'-O-(trihydroxy-lambda~5~-phosphanyl)guanosine
- 2-[(8-azanylpyren-1-yl)amino]-9-[(2R,4S,5R)-4-oxidanyl-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one
identifiers:
- ns: pdb-ccd
id: 2JV
structure: O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)O)n1cnc2c1nc([nH]c2=O)Nc1ccc2c3c1ccc1c3c(cc2)ccc1N
base_monomers:
- G
2L8:
id: 2L8
name: '[(2r,3s,5r)-3-[(1-{[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl}-1h-1,2,3-triazol-4-yl)methoxy]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl
dihydrogen phosphate '
synonyms:
- '[(2R,3S,5R)-3-[(1-{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methoxy]-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl
dihydrogen phosphate (non-preferred name)'
- '[(2R,3S,5R)-3-[[1-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl]-1,2,3-triazol-4-yl]methoxy]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 2L8
structure: O[C@@H]1C[C@@H](O[C@H]1Cn1nnc(c1)CO[C@@H]1C[C@@H](O[C@H]1COP(=O)([O-])[O-])n1cc(C)c(=O)[nH]c1=O)n1cc(C)c(=O)[nH]c1=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
2LA:
id: 2LA
name: 2-amino-5-(aminomethyl)-7-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3,7-dihydro-4h-pyrrolo[2,3-d]pyrimidin-4-one
synonyms:
- 2-amino-5-(aminomethyl)-7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
- '[(2R,3S,5R)-5-[5-(aminomethyl)-2-azanyl-4-oxidanylidene-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 2LA
structure: NCc1cn(c2c1c(=O)[nH]c(n2)N)[C@H]1C[C@H]([C@@H](O1)COP(=O)([O-])[O-])O
r_bond_atoms:
- molecule: Monomer
element: O
position: 29
l_bond_atoms:
- molecule: Monomer
element: P
position: 25
r_displaced_atoms:
- molecule: Monomer
element: H
position: 29
l_displaced_atoms:
- molecule: Monomer
element: O
position: 28
charge: -1
2LF:
id: 2LF
name: (6s,7s,8s,10r)-2-amino-8-hydroxy-4-oxo-3,6,7,8,9,10-hexahydro-4h-7,10-epoxyazepino[1,2-e]purin-6-yl
dihydrogen phosphate
synonyms:
- (6S,7S,8S,10R)-2-amino-8-hydroxy-4-oxo-3,6,7,8,9,10-hexahydro-4H-7,10-epoxyazepino[1,2-e]purin-6-yl
dihydrogen phosphate
identifiers:
- ns: pdb-ccd
id: 2LF
structure: O[C@@H]1C[C@H]2O[C@H]1[C@@H](OP(=O)([O-])[O-])c1n2c2nc(N)[nH]c(=O)c2n1
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 13
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 16
charge: -1
2PR:
id: 2PR
name: 2-amino-9-[2-deoxyribofuranosyl]-9h-purine-5'-monophosphate
synonyms:
- G
- 9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purin-2-amine
- '[(2R,3S,5R)-5-(2-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 2PR
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)([O-])[O-])n1cnc2c1nc(N)nc2
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 14
charge: -1
2ST:
id: 2ST
name: 5-methyl-2'-se-methyl-2'-selenouridine 5'-(dihydrogen phosphate)
synonyms:
- 5-methyl-2'-Se-methyl-2'-selenouridine 5'-(dihydrogen phosphate)
- '[(2R,3R,4R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-4-methylselanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- T
identifiers:
- ns: pdb-ccd
id: 2ST
structure: C[Se][C@@H]1[C@H](O)[C@H](O[C@H]1n1cc(C)c(=O)[nH]c1=O)COP(=O)([O-])[O-]
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 7
l_bond_atoms:
- molecule: Monomer
element: P
position: 25
r_displaced_atoms:
- molecule: Monomer
element: H
position: 7
l_displaced_atoms:
- molecule: Monomer
element: O
position: 27
charge: -1
3DR:
id: 3DR
name: 1',2'-dideoxyribofuranose-5'-phosphate
synonyms:
- N
- 1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol
- '[(2R,3S)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 3DR
structure: O[C@H]1CCO[C@@H]1COP(=O)([O-])[O-]
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 11
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 14
charge: -1
3ZO:
id: 3ZO
name: 2'-deoxy-xanthosine-5'-monophosphate
synonyms:
- 2'-deoxy-5'-2,3-dihydroxanthylic acid
- '[(2R,3S,5R)-5-[2,6-bis(oxidanylidene)-3H-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 3ZO
structure: O=c1[nH]c(=O)c2c([nH]1)n(cn2)[C@H]1O[C@H]([C@@H](C1)O)CO[P@@](=O)(O)[O-]
47C:
id: 47C
name: 2'-deoxy-n-(prop-2-en-1-yloxy)cytidine 5'-(dihydrogen phosphate)
synonyms:
- 2'-deoxy-N-(prop-2-en-1-yloxy)cytidine 5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-3-hydroxy-5-[2-oxo-4-(prop-2-enoxyamino)pyrimidin-1-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
- C
identifiers:
- ns: pdb-ccd
id: 47C
structure: C=CCONc1ccn(c(=O)n1)[C@H]1C[C@@H]([C@@H](O1)COP(=O)(O)O)O
base_monomers:
- C
4DG:
id: 4DG
name: 2-[(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)methoxy]ethyl dihydrogen phosphate
synonyms:
- 2-[(2-azanyl-6-oxo-1H-purin-9-yl)methoxy]ethyl dihydrogen phosphate
identifiers:
- ns: pdb-ccd
id: 4DG
structure: Nc1[nH]c(=O)c2c(n1)n(COCCOP(=O)(O)O)cn2
4DU:
id: 4DU
name: 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-imidazo[4,5-c]pyridin-4-amine
synonyms:
- '[(2R,3S,5R)-5-(4-azanylimidazo[4,5-c]pyridin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-imidazo[4,5-c]pyridin-4-amine
identifiers:
- ns: pdb-ccd
id: 4DU
structure: O[C@H]1C[C@@H](O[C@H]1COP(=O)(O)O)n1cnc2c1ccnc2N
'4E9':
id: '4E9'
name: 2'-deoxy-8-[(7-oxo-7h-benzo[de]anthracen-3-yl)amino]guanosine 5'-(dihydrogen
phosphate)
synonyms:
- 2'-deoxy-8-[(7-oxo-7H-benzo[de]anthracen-3-yl)amino]guanosine 5'-(dihydrogen
phosphate)
- '[(2R,3S,5R)-5-[2-azanyl-6-oxidanylidene-8-[(7-oxidanylidenebenzo[a]phenalen-3-yl)amino]-1H-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: '4E9'
structure: O[C@@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1c(Nc2ccc3c4c2cccc4C(=O)c2c3cccc2)nc2c1nc(N)[nH]c2=O
4EN:
id: 4EN
name: '[(2r,3s,5r)-5-(4-azanylpyrazolo[3,4-d]pyrimidin-2-yl)-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
synonyms:
- '[(2R,3S,5R)-5-(4-azanylpyrazolo[3,4-d]pyrimidin-2-yl)-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 4EN
structure: O[C@H]1C[C@H](O[C@@H]1CO[P@@](=O)(O)[O-])n1nc2c(c1)c(N)ncn2
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
4JA:
id: 4JA
name: (2s)-3-[(6-deoxy-beta-d-glucopyranosyl)oxy]-2-hydroxypropyl dihydrogen phosphate
synonyms:
- '[(2S)-3-[(2R,3R,4S,5S,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-propyl]
dihydrogen phosphate'
- (2S)-3-[(6-deoxy-beta-D-glucopyranosyl)oxy]-2-hydroxypropyl dihydrogen phosphate
identifiers:
- ns: pdb-ccd
id: 4JA
structure: O[C@@H](COP(=O)([O-])[O-])CO[C@@H]1O[C@H](C)[C@H]([C@@H]([C@H]1O)O)O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 6
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 9
charge: -1
4MF:
id: 4MF
name: 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-methyl-1h-indole
synonyms:
- N
- '[(2R,3S,5R)-3-hydroxy-5-(4-methylindol-1-yl)oxolan-2-yl]methyl dihydrogen phosphate'
- 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-methyl-1H-indole
identifiers:
- ns: pdb-ccd
id: 4MF
structure: O[C@@H]1C[C@H](O[C@H]1COP(=O)(O)O)n1ccc2c1cccc2C
4PC:
id: 4PC
name: 3-(2'-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methyl-3,7-dihydro-2h-pyrrolo[2,3-d]pyrimidin-2-one
synonyms:
- C
- 3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methyl-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one
- '[(2R,3S,5R)-3-hydroxy-5-(6-methyl-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 4PC
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)([O-])[O-])n1cc2cc([nH]c2nc1=O)C
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
4PD:
id: 4PD
name: 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methyl-1,3-dihydro-2h-pyrrolo[2,3-d]pyrimidin-2-one
synonyms:
- 3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methyl-1,3-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one
- C
- '[(2R,3S,5R)-3-hydroxy-5-(6-methyl-2-oxo-1H-pyrrolo[2,3-d]pyrimidin-3-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 4PD
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)([O-])[O-])n1cc2cc(nc2[nH]c1=O)C
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
4PE:
id: 4PE
name: 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methyl-3h-pyrrolo[2,3-d]pyrimidin-2-ol
synonyms:
- 3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methyl-3H-pyrrolo[2,3-d]pyrimidin-2-ol
- '[(2R,3S,5R)-3-hydroxy-5-(2-hydroxy-6-methyl-pyrrolo[2,3-d]pyrimidin-3-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
- C
identifiers:
- ns: pdb-ccd
id: 4PE
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)([O-])[O-])n1cc2cc(nc2nc1O)C
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
4SC:
id: 4SC
name: 4'-thio-2'-deoxycytidine-5'-monophosphate group
synonyms:
- C
- 2'-deoxy-5-methyl-5'-O-[oxido(oxo)phosphonio]-4'-thiocytidine
- '[(2R,3S,5R)-5-[(5R)-4-amino-5-methyl-2-oxo-5,6-dihydropyrimidin-1-yl]-3-hydroxy-thiolan-2-yl]methoxy-oxido-oxo-phosphanium'
identifiers:
- ns: pdb-ccd
id: 4SC
structure: '[O-][P+](=O)OC[C@H]1S[C@@H](C[C@@H]1O)N1C[C@@H](C)C(=NC1=O)N'
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 14
r_displaced_atoms:
- molecule: Monomer
element: H
position: 14
4U3:
id: 4U3
name: 5-chloro-2'-deoxycytidine 5'-(dihydrogen phosphate)
synonyms:
- 5-chloro-2'-deoxycytidine 5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-5-(4-azanyl-5-chloranyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 4U3
structure: O[C@@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1cc(Cl)c(nc1=O)N
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
5AT:
id: 5AT
name: 5'-amino-5'-deoxythymidine
synonyms:
- 1-[(2R,4S,5R)-5-(aminomethyl)-4-hydroxy-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
- 5'-amino-5'-deoxythymidine
- T
identifiers:
- ns: pdb-ccd
id: 5AT
structure: NC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 11
r_displaced_atoms:
- molecule: Monomer
element: H
position: 11
5DB:
id: 5DB
name: 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-methoxy-5-methylpyrimidin-2(1h)-one
synonyms:
- '[(2R,3S,5R)-5-(4-methoxy-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-methoxy-5-methylpyrimidin-2(1H)-one
identifiers:
- ns: pdb-ccd
id: 5DB
structure: COc1nc(=O)n(cc1C)[C@H]1C[C@@H]([C@H](O1)COP(=O)(O)O)O
5EJ:
id: 5EJ
name: 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-ethoxy-5-methylpyrimidin-2(1h)-one
synonyms:
- 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-ethoxy-5-methylpyrimidin-2(1H)-one
- '[(2R,3S,5R)-5-(4-ethoxy-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 5EJ
structure: CCOc1nc(=O)n(cc1C)[C@H]1C[C@H]([C@H](O1)COP(=O)(O)O)O
5HT:
id: 5HT
name: 5-hydroxy-thymidine
synonyms:
- (5R)-5-hydroxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione
- 5-hydroxythymidine
- T
identifiers:
- ns: pdb-ccd
id: 5HT
structure: OC[C@H]1O[C@@H](C[C@@H]1O)N1C[C@](C)(O)C(=O)NC1=O
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 11
r_displaced_atoms:
- molecule: Monomer
element: H
position: 11
5HU:
id: 5HU
name: 5-hydroxymethyluridine-2'-deoxy-5'-monophosphate
synonyms:
- '[(2R,3S,5R)-3-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxo-pyrimidin-1-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
- U
- 2'-deoxy-5-(hydroxymethyl)uridine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: 5HU
structure: OCc1cn([C@@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)c(=O)[nH]c1=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 20
r_displaced_atoms:
- molecule: Monomer
element: H
position: 20
5IU:
id: 5IU
name: 5-iodo-2'-deoxyuridine-5'-monophosphate
synonyms:
- '[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-deoxy-5-iodouridine 5'-(dihydrogen phosphate)
- U
identifiers:
- ns: pdb-ccd
id: 5IU
structure: O[C@H]1C[C@@H](O[C@H]1COP(=O)([O-])[O-])n1cc(I)c(=O)[nH]c1=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
5MD:
id: 5MD
name: 2'-deoxy-1-methyl-pseudouridine
synonyms:
- N
- 5-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-pyrimidine-2,4-dione
- (1R)-1,4-anhydro-2-deoxy-1-(1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-erythro-pentitol
identifiers:
- ns: pdb-ccd
id: 5MD
structure: OC[C@H]1O[C@H](C[C@@H]1O)c1cn(C)c(=O)[nH]c1=O
5NC:
id: 5NC
name: 5-aza-cytidine-5'monophosphate
synonyms:
- 4-amino-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1,3,5-triazin-2(1H)-one
- '[(2R,3S,5R)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- C
identifiers:
- ns: pdb-ccd
id: 5NC
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)([O-])[O-])n1cnc(nc1=O)N
base_monomers:
- C
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
5OC:
id: 5OC
name: 2'-deoxy-5-hydroxycytidine 5'-(dihydrogen phosphate)
synonyms:
- '[(2R,3S,5R)-5-(4-azanyl-5-oxidanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-deoxy-5-hydroxycytidine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: 5OC
structure: O[C@H]1C[C@H](O[C@H]1COP(=O)([O-])[O-])n1cc(O)c(nc1=O)N
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
5PC:
id: 5PC
name: 5(1-propynyl)-2'-deoxycytidine-5'-monophosphate
synonyms:
- '[(2R,3S,5R)-5-(4-amino-2-oxo-5-prop-1-ynyl-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-deoxy-5-prop-1-yn-1-ylcytidine 5'-(dihydrogen phosphate)
- C
identifiers:
- ns: pdb-ccd
id: 5PC
structure: CC#Cc1cn([C@@H]2C[C@@H]([C@H](O2)COP(=O)([O-])[O-])O)c(=O)nc1N
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 21
l_bond_atoms:
- molecule: Monomer
element: P
position: 17
r_displaced_atoms:
- molecule: Monomer
element: H
position: 21
l_displaced_atoms:
- molecule: Monomer
element: O
position: 19
charge: -1
5PY:
id: 5PY
name: 1-(2'-deoxy-5'-o-phosphono-beta-d-erythro-pentofuranosyl)-5-methylpyrimidin-2(1h)-one
synonyms:
- '[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2-oxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen
phosphate'
- 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methylpyrimidin-2(1H)-one
- T
identifiers:
- ns: pdb-ccd
id: 5PY
structure: O[C@@H]1C[C@@H](O[C@H]1COP(=O)([O-])[O-])n1cc(C)cnc1=O
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
5SE:
id: 5SE
name: 2'-deoxy-5-(methylselanyl)cytidine 5'-(dihydrogen phosphate)
synonyms:
- 2'-deoxy-5-(methylselanyl)cytidine 5'-(dihydrogen phosphate)
- U
- '[(2R,3S,5R)-5-(4-azanyl-5-methylselanyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 5SE
structure: C[Se]c1cn([C@H]2C[C@H]([C@H](O2)COP(=O)([O-])[O-])O)c(=O)nc1N
r_bond_atoms:
- molecule: Monomer
element: O
position: 20
l_bond_atoms:
- molecule: Monomer
element: P
position: 16
r_displaced_atoms:
- molecule: Monomer
element: H
position: 20
l_displaced_atoms:
- molecule: Monomer
element: O
position: 18
charge: -1
5UA:
id: 5UA
name: 5'-o-carboxy-2'-deoxyadenosine
synonyms:
- '[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl hydrogen carbonate'
- 5'-O-carboxy-2'-deoxyadenosine
identifiers:
- ns: pdb-ccd
id: 5UA
structure: OC(=O)OC[C@H]1O[C@H](C[C@H]1O)n1cnc2c1ncnc2N
r_bond_atoms:
- molecule: Monomer
element: O
position: 14
r_displaced_atoms:
- molecule: Monomer
element: H
position: 14
63G:
id: 63G
name: (6s)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3h)-one
synonyms:
- '[(2R,3S,5R)-3-hydroxy-5-[(6S)-6-hydroxy-10-oxo-5,6,7,8-tetrahydropyrimido[1,2-a]purin-3-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
- (6S)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one
identifiers:
- ns: pdb-ccd
id: 63G
structure: O[C@H]1CCn2c(N1)nc1c(c2=O)ncn1[C@H]1C[C@@H]([C@H](O1)COP(=O)(O)O)O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 31
r_displaced_atoms:
- molecule: Monomer
element: H
position: 31
63H:
id: 63H
name: (6r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3h)-one
synonyms:
- (6R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one
- '[(2R,3S,5R)-3-hydroxy-5-[(6R)-6-hydroxy-10-oxo-5,6,7,8-tetrahydropyrimido[1,2-a]purin-3-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 63H
structure: O[C@H]1CCn2c(N1)nc1c(c2=O)ncn1[C@@H]1C[C@@H]([C@H](O1)COP(=O)(O)O)O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 31
r_displaced_atoms:
- molecule: Monomer
element: H
position: 31
64P:
id: 64P
name: 5-aminothymidine 5'-(dihydrogen phosphate)
synonyms:
- 5-aminothymidine 5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-5-[(5R)-5-amino-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 64P
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)(O)O)N1C[C@@](C)(N)C(=O)NC1=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
64T:
id: 64T
name: 5-hydroxy-thymidine-5'-monophosphate
synonyms:
- '[(2R,3S,5R)-3-hydroxy-5-[(5R)-5-hydroxy-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
- 5-hydroxythymidine 5'-(dihydrogen phosphate)
- T
identifiers:
- ns: pdb-ccd
id: 64T
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)([O-])[O-])N1C[C@](C)(O)C(=O)NC1=O
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
68Z:
id: 68Z
name: 1r,2s,4r)-4-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-2-oxidanyl-cyclopentyl]methyl
dihydrogen phosphate
synonyms:
- '[(1R,2S,4R)-4-[2-azanyl-6,8-bis(oxidanylidene)-1,7-dihydropurin-9-yl]-2-oxidanyl-cyclopentyl]methyl
dihydrogen phosphate'
- G
- '[(1R,2S,4R)-4-(2-amino-6,8-dioxo-1,6,7,8-tetrahydro-9H-purin-9-yl)-2-hydroxycyclopentyl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 68Z
structure: Nc1[nH]c(=O)c2c(n1)n([C@@H]1C[C@H]([C@@H](C1)O)COP(=O)(O)O)c(=O)[nH]2
base_monomers:
- G
6FK:
id: 6FK
name: '[(2~{r},3~{s},5~{r})-5-[2-azanyl-8-[ethanoyl(phenyl)amino]-6-oxidanylidene-3~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
synonyms:
- G
- '[(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(phenyl)amino]-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 6FK
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1c(nc2c1[nH]c(N)nc2=O)N(c1ccccc1)C(=O)C
base_monomers:
- G
6FM:
id: 6FM
name: 2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate)
synonyms:
- '[(2~{R},3~{S},5~{R})-5-(6-azanyl-2-fluoranyl-purin-9-yl)-2-ethynyl-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: 6FM
structure: C#C[C@]1(COP(=O)([O-])[O-])O[C@H](C[C@@H]1O)n1cnc2c1nc(F)nc2N
6HA:
id: 6HA
name: 1',5'-anhydro-2',3'-dideoxy-2'-(adenin-9-yl)-6'-o-phosphoryl-d-arabino-hexitol
synonyms:
- 2-(6-amino-9H-purin-9-yl)-1,5-anhydro-2,3-dideoxy-6-O-phosphono-D-arabino-hexitol
- A
- '[(2R,3S,5S)-5-(6-aminopurin-9-yl)-3-hydroxy-oxan-2-yl]methyl dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 6HA
structure: O[C@H]1C[C@@H](CO[C@@H]1COP(=O)([O-])[O-])n1cnc2c1ncnc2N
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 13
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 16
charge: -1
6HB:
id: 6HB
name: 2'-deoxy-n-[(2s)-2-hydroxybut-3-en-1-yl]adenosine 5'-(dihydrogen phosphate)
synonyms:
- 2'-deoxy-N-[(2S)-2-hydroxybut-3-en-1-yl]adenosine 5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-3-oxidanyl-5-[6-[[(2S)-2-oxidanylbut-3-enyl]amino]purin-9-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 6HB
structure: C=C[C@H](CNc1ncnc2c1ncn2[C@@H]1C[C@H]([C@@H](O1)COP(=O)(O)O)O)O
base_monomers:
- A
6HC:
id: 6HC
name: 1',5'-anhydro-2',3'-dideoxy-2'-(cytosin-1-yl)-6'-o-phosphoryl-d-arabino-hexitol
synonyms:
- C
- 2-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,5-anhydro-2,3-dideoxy-6-O-phosphono-D-arabino-hexitol
- '[(2R,3S,5S)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxan-2-yl]methyl dihydrogen
phosphate'
identifiers:
- ns: pdb-ccd
id: 6HC
structure: O[C@H]1C[C@@H](CO[C@@H]1COP(=O)([O-])[O-])n1ccc(nc1=O)N
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 13
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 16
charge: -1
6HG:
id: 6HG
name: 1',5'-anhydro-2',3'-dideoxy-2'-(guanin-9-yl)-6'-o-phosphoryl-d-arabino-hexitol
synonyms:
- G
- '[(2R,3S,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-oxan-2-yl]methyl dihydrogen
phosphate'
- 2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,5-anhydro-2,3-dideoxy-6-O-phosphono-D-arabino-hexitol
identifiers:
- ns: pdb-ccd
id: 6HG
structure: O[C@H]1C[C@@H](CO[C@@H]1COP(=O)([O-])[O-])n1cnc2c1nc(N)[nH]c2=O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 13
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 16
charge: -1
6HT:
id: 6HT
name: 1',5'-anhydro-2',3'-dideoxy-2'-(thymin-1-yl)-6'-o-phosphoryl-d-arabino-hexitol
synonyms:
- '[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxan-2-yl]methyl
dihydrogen phosphate'
- 1,5-anhydro-2,3-dideoxy-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-arabino-hexitol
- T
identifiers:
- ns: pdb-ccd
id: 6HT
structure: O[C@H]1C[C@@H](CO[C@@H]1COP(=O)([O-])[O-])n1cc(C)c(=O)[nH]c1=O
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 13
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 16
charge: -1
6MI:
id: 6MI
name: 6-methyl-8-(2-deoxy-ribofuranosyl)isoxanthopteridine
synonyms:
- N
- '[(5R)-5-(2-amino-6-methyl-4,7-dioxo-1H-pteridin-8-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- 2-amino-8-(2-deoxy-5-O-phosphono-beta-D-threo-pentofuranosyl)-6-methylpteridine-4,7(1H,8H)-dione
identifiers:
- ns: pdb-ccd
id: 6MI
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1c(=O)c(C)nc2c1[nH]c(N)nc2=O
6PO:
id: 6PO
name: 9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-propoxy-9h-purin-2-amine
synonyms:
- 9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-propoxy-9H-purin-2-amine
- '[(2R,3S,5R)-5-(2-azanyl-6-propoxy-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 6PO
structure: CCCOc1nc(N)nc2c1ncn2[C@H]1C[C@H]([C@H](O1)COP(=O)([O-])[O-])O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 29
l_bond_atoms:
- molecule: Monomer
element: P
position: 25
r_displaced_atoms:
- molecule: Monomer
element: H
position: 29
l_displaced_atoms:
- molecule: Monomer
element: O
position: 28
charge: -1
77Y:
id: 77Y
name: " 5-(3-(2-(1h-indol-3-yl)acetamide-n-yl)-1-propen-1-yl)-2'-deoxyuridine"
synonyms:
- '[(2~{R},3~{S},5~{R})-5-[5-[(~{E})-3-[2-(1~{H}-indol-3-yl)ethanoylamino]prop-1-enyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- U
identifiers:
- ns: pdb-ccd
id: 77Y
structure: O=C(Cc1c[nH]c2c1cccc2)NC/C=C/c1cn([C@H]2C[C@H]([C@H](O2)COP(=O)(O)O)O)c(=O)[nH]c1=O
7BG:
id: 7BG
name: 2-amino-7-benzyl-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-6-oxo-6,9-dihydro-1h-purin-7-ium
synonyms:
- '[(2R,3R,4S,5R)-5-[2-azanyl-6-oxidanylidene-7-(phenylmethyl)-1H-purin-7-ium-9-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- 2-amino-7-benzyl-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-6-oxo-6,9-dihydro-1H-purin-7-ium
identifiers:
- ns: pdb-ccd
id: 7BG
structure: F[C@H]1[C@@H](O)[C@@H](O[C@@H]1n1c[n+](c2c1nc(N)[nH]c2=O)Cc1ccccc1)COP(=O)(O)O
base_monomers:
- G
7DA:
id: 7DA
name: 7-deaza-2'-deoxyadenosine-5'-monophosphate
synonyms:
- '[(2R,3S,5R)-5-(4-aminopyrrolo[3,2-e]pyrimidin-7-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- A
- 7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
identifiers:
- ns: pdb-ccd
id: 7DA
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1ccc2c1ncnc2N
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
7GU:
id: 7GU
name: 7-deaza-2'-deoxyguanosine-5'-monophosphate
synonyms:
- G
- 2-amino-7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
- '[(2R,3S,5R)-5-(2-amino-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 7GU
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1ccc2c1nc(N)[nH]c2=O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
8AA:
id: 8AA
name: 8-[acetyl(anthracen-2-yl)amino]-2'-deoxy-5'-o-(dihydroxyphosphanyl)guanosine
synonyms:
- G
- 8-[acetyl(anthracen-2-yl)amino]-2'-deoxy-5'-O-(dihydroxyphosphanyl)guanosine
- '[(2R,3S,5R)-5-[8-[anthracen-2-yl(ethanoyl)amino]-2-azanyl-6-oxidanylidene-3H-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphite'
identifiers:
- ns: pdb-ccd
id: 8AA
structure: '[O-]P(OC[C@H]1O[C@H](C[C@H]1O)n1c(nc2c1[nH]c(N)nc2=O)N(c1ccc2c(c1)cc1c(c2)cccc1)C(=O)C)[O-]'
r_bond_atoms:
- molecule: Monomer
element: O
position: 13
l_bond_atoms:
- molecule: Monomer
element: P
position: 2
r_displaced_atoms:
- molecule: Monomer
element: H
position: 13
l_displaced_atoms:
- molecule: Monomer
element: O
position: 1
charge: -1
8AG:
id: 8AG
name: 8-[acetyl(anthracen-2-yl)amino]-2'-deoxyguanosine 5'-(dihydrogen phosphate)
synonyms:
- G
- '[(2R,3S,5R)-5-[2-amino-8-(anthracen-2-yl-ethanoyl-amino)-6-oxo-7,8-dihydro-1H-purin-9-yl]-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- 8-[acetyl(anthracen-2-yl)amino]-2'-deoxyguanosine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: 8AG
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)(O)O)N1[C@@H](Nc2c1nc(N)[nH]c2=O)N(c1ccc2c(c1)cc1c(c2)cccc1)C(=O)C
base_monomers:
- G
8BA:
id: 8BA
name: 8-bromo-deoxyadenosine-5'-monophosphate
synonyms:
- (2~{R},3~{S},5~{R})-5-(6-azanyl-8-bromanyl-purin-9-yl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]oxolan-3-ol
identifiers:
- ns: pdb-ccd
id: 8BA
structure: O[C@H]1C[C@H](O[C@H]1COP(=O)(=O)O)n1c(Br)nc2c1ncnc2N
base_monomers:
- A
8DT:
id: 8DT
name: " 5-(3-(acetamide-n-yl)-1-propen-1-yl)-2'-deoxyuridine"
synonyms:
- '[(2~{R},3~{S},5~{R})-5-[5-[(~{E})-3-acetamidoprop-1-enyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- U
identifiers:
- ns: pdb-ccd
id: 8DT
structure: CC(=O)NC/C=C/c1cn([C@H]2C[C@H]([C@H](O2)COP(=O)(O)O)O)c(=O)[nH]c1=O
8FG:
id: 8FG
name: n-(5'-phospho-2'-deoxyguanosin-8-yl)-2-acetylaminofluorene
synonyms:
- G
- 8-[acetyl(9H-fluoren-2-yl)amino]-2'-deoxyguanosine 5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-5-[2-amino-8-(ethanoyl-(9H-fluoren-2-yl)amino)-6-oxo-1H-purin-9-yl]-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 8FG
structure: Nc1[nH]c(=O)c2c(n1)n([C@H]1C[C@@H]([C@H](O1)COP(=O)([O-])[O-])O)c(n2)N(c1ccc2c(c1)Cc1c2cccc1)C(=O)C
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 25
l_bond_atoms:
- molecule: Monomer
element: P
position: 21
r_displaced_atoms:
- molecule: Monomer
element: H
position: 25
l_displaced_atoms:
- molecule: Monomer
element: O
position: 23
charge: -1
8MG:
id: 8MG
name: 8-methyl-2'-deoxyguanosine-5'-monophosphate
synonyms:
- 2'-deoxy-8-methylguanosine 5'-(dihydrogen phosphate)
- G
- '[(2R,3S,5R)-5-(2-amino-8-methyl-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 8MG
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1c(C)nc2c1nc(N)[nH]c2=O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
8OG:
id: 8OG
name: 8-oxo-2'-deoxy-guanosine-5'-monophosphate
synonyms:
- G
- 2'-deoxy-8-oxoguanosine 5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 8OG
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)([O-])[O-])n1c(=O)[nH]c2c1nc(N)[nH]c2=O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 14
charge: -1
8PY:
id: 8PY
name: '[(2~{r},3~{s},5~{r})-5-[2-azanyl-8-[ethanoyl(pyren-2-yl)amino]-6-oxidanylidene-1~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
synonyms:
- G
- '[(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(pyren-2-yl)amino]-6-oxidanylidene-1~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 8PY
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1c(nc2c1nc(N)[nH]c2=O)N(c1cc2ccc3c4c2c(c1)ccc4ccc3)C(=O)C
base_monomers:
- G
8RO:
id: 8RO
name: '[(2~{r},3~{s},5~{r})-5-(5-methyl-2-oxidanylidene-7-thia-1,3-diazabicyclo[4.1.0]hept-5-en-3-yl)-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphite'
synonyms:
- '[(2~{R},3~{S},5~{R})-5-(5-methyl-2-oxidanylidene-7-thia-1,3-diazabicyclo[4.1.0]hept-5-en-3-yl)-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphite'
identifiers:
- ns: pdb-ccd
id: 8RO
structure: OP(OC[C@H]1O[C@@H](C[C@@H]1O)N1CC(=C2N(C1=O)S2)C)O
base_monomers:
- C
8YN:
id: 8YN
name: pseudoisocytidine
synonyms:
- '[(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-pyrimidin-5-yl)-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- C
identifiers:
- ns: pdb-ccd
id: 8YN
structure: O[C@@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)c1cnc([nH]c1=O)N
base_monomers:
- C
92F:
id: 92F
name: 7-amino-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-2-oxo-2,3-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
synonyms:
- 7-amino-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-2-oxo-2,3-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
- '[(2~{R},3~{S},5~{R})-5-(7-azanyl-6-cyano-2-oxidanylidene-pyrido[2,3-d]pyrimidin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: 92F
structure: N#Cc1cc2cn([C@H]3C[C@H]([C@@H](O3)COP(=O)(O)O)O)c(=O)nc2nc1N
93D:
id: 93D
name: (1r)-1,4-anhydro-2-deoxy-1-(2,4-diaminopyrimidin-5-yl)-5-o-phosphono-d-erythro-pentitol
synonyms:
- '[(2~{R},3~{S},5~{R})-5-[2,4-bis(azanyl)pyrimidin-5-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- (1R)-1,4-anhydro-2-deoxy-1-(2,4-diaminopyrimidin-5-yl)-5-O-phosphono-D-erythro-pentitol
identifiers:
- ns: pdb-ccd
id: 93D
structure: O[C@H]1C[C@H](O[C@H]1COP(=O)([O-])[O-])c1cnc(nc1N)N
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
l_displaced_atoms:
- molecule: Monomer
element: O
position: 14
charge: -1
94O:
id: 94O
name: 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-2h-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,6(3h)-dione
synonyms:
- '[(2~{R},3~{S},5~{R})-5-[6,17-bis(oxidanylidene)-5,7,9-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1,3,7,9,11(16),12,14-heptaen-5-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- 3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-2H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,6(3H)-dione
identifiers:
- ns: pdb-ccd
id: 94O
structure: O[C@@H]1C[C@H](O[C@@H]1COP(=O)(O)O)n1cc2cc3C(=O)c4c(c3nc2nc1=O)cccc4
base_monomers:
- T
9O4:
id: 9O4
name: (3r,5r)-5-(6-amino-9h-purin-9-yl)oxolan-3-yl dihydrogen phosphate
synonyms:
- '[(3~{R},5~{R})-5-(6-aminopurin-9-yl)oxolan-3-yl] dihydrogen phosphate'
- (3R,5R)-5-(6-amino-9H-purin-9-yl)oxolan-3-yl dihydrogen phosphate
identifiers:
- ns: pdb-ccd
id: 9O4
structure: Nc1ncnc2c1ncn2[C@@H]1OC[C@H](C1)OP(=O)(O)O
A38:
id: A38
name: 8-oxy deoxyadenosine-5'-monophosphate
synonyms:
- '[(2R,3S,5R)-5-(6-amino-8-oxo-7H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen
phosphate'
- 2'-deoxy-8-oxoadenosine 5'-(dihydrogen phosphate)
- A
identifiers:
- ns: pdb-ccd
id: A38
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)(O)O)n1c(=O)[nH]c2c1ncnc2N
base_monomers:
- A
A3A:
id: A3A
name: 2'deoxy-alpha-anomeric-adenosine-5'-phosphate
synonyms:
- 2'-deoxy-5'-adenylic acid
- A
- '[(2R,3S,5S)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: A3A
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)(O)O)n1cnc2c1ncnc2N
base_monomers:
- A
A40:
id: A40
name: n2-methyl 2'-deoxyadenosine 5'-monophosphate
synonyms:
- '[(2R,3S,5R)-5-(6-amino-2-methylamino-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- A
- 2'-deoxy-2-(methylamino)adenosine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: A40
structure: CNc1nc(N)c2c(n1)n(cn2)[C@@H]1C[C@H]([C@H](O1)COP(=O)(O)O)O
base_monomers:
- A
A43:
id: A43
name: 3'-amino deoxyadenosine 5'-monophosphate
synonyms:
- '[(2S,3S,5R)-3-amino-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate'
- A
- 3'-amino-2',3'-dideoxyadenosine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: A43
structure: N[C@@H]1C[C@H](O[C@@H]1COP(=O)(O)O)n1cnc2c1ncnc2N
base_monomers:
- A
A47:
id: A47
name: n6-methoxy adenosine 5'-monophosphate
synonyms:
- 2'-deoxy-N-methoxyadenosine 5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-3-hydroxy-5-[6-(methoxyamino)purin-9-yl]oxolan-2-yl]methyl dihydrogen
phosphate'
- A
identifiers:
- ns: pdb-ccd
id: A47
structure: CONc1ncnc2c1ncn2[C@@H]1C[C@@H]([C@H](O1)COP(=O)(O)O)O
base_monomers:
- A
A5L:
id: A5L
name: 9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-9h-purin-6-amine
synonyms:
- '[(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- 9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-9H-purin-6-amine
- A
identifiers:
- ns: pdb-ccd
id: A5L
structure: O[C@H]1[C@H](COP(=O)([O-])[O-])O[C@H]([C@@H]1F)n1cnc2c1ncnc2N
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 8
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 11
charge: -1
AAB:
id: AAB
name: 2'-deoxy-ribofuranose-5'-monophosphate
synonyms:
- 2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranose
- '[(2R,3S,5R)-3,5-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: AAB
structure: O[C@H]1C[C@H]([C@H](O1)COP(=O)(O)O)O
r_bond_atoms:
- molecule: Monomer
element: O
position: 16
r_displaced_atoms:
- molecule: Monomer
element: H
position: 16
ABR:
id: ABR
name: (r)-(n-phenyl-2-hydroxy-ethyl)-2'-deoxy-adenosine-5'-monophosphate
synonyms:
- '[(2R,3S,5R)-3-hydroxy-5-[6-[[(2R)-2-hydroxy-2-phenyl-ethyl]amino]purin-9-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-deoxy-N-[(2R)-2-hydroxy-2-phenylethyl]adenosine 5'-(dihydrogen phosphate)
- A
identifiers:
- ns: pdb-ccd
id: ABR
structure: O[C@@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1cnc2c1ncnc2NC[C@@H](c1ccccc1)O
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
ABS:
id: ABS
name: (s)-(n-phenyl-2-hydroxy-ethyl)-2'-deoxy-adenosine-5'-monophosphate
synonyms:
- '[(2R,3S,5R)-3-hydroxy-5-[6-[[(2S)-2-hydroxy-2-phenyl-ethyl]amino]purin-9-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
- A
- 2'-deoxy-N-[(2S)-2-hydroxy-2-phenylethyl]adenosine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: ABS
structure: O[C@@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1cnc2c1ncnc2NC[C@@H](c1ccccc1)O
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
ABT:
id: ABT
name: 3'-azido-3'-deoxy-thymidine-5'-alpha borano triphosphate
synonyms:
- N
- '[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methoxy-boranylidene-hydroxy-phosphoranyl]
phosphono hydrogen phosphate'
- 3'-azido-5'-O-[(1E,3S)-1-boranylidene-1,3,5,5-tetrahydroxy-3,5-dioxido-1lambda~5~-triphosphoxanyl]-3'-deoxythymidine
identifiers:
- ns: pdb-ccd
id: ABT
structure: '[N-]=[N+]=N[C@@H]1C[C@@H](O[C@@H]1CO[P@@](=[BH2])(O[P@@](=O)(OP(=O)(O)O)O)O)n1cc(C)c(=O)[nH]c1=O'
AD2:
id: AD2
name: 2'-deoxy-adenosine-3'-5'-diphosphate
synonyms:
- '[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-phosphonooxy-oxolan-2-yl]methyl dihydrogen
phosphate'
- A
- 2'-deoxyadenosine 3',5'-bis(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: AD2
structure: Nc1ncnc2c1ncn2[C@H]1C[C@@H]([C@H](O1)COP(=O)([O-])[O-])OP(=O)(O)O
base_monomers:
- A
AF2:
id: AF2
name: 2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate)
synonyms:
- '[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-deoxy-2'-fluoroadenosine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: AF2
structure: O[C@H]1[C@@H](COP(=O)([O-])[O-])O[C@H]([C@H]1F)n1cnc2c1ncnc2N
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 8
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 11
charge: -1
AFF:
id: AFF
name: 2-acetylaminofluorene-3-yl
synonyms:
- N
- N-(9H-fluoren-2-yl)ethanamide
- N-9H-fluoren-2-ylacetamide
identifiers:
- ns: pdb-ccd
id: AFF
structure: CC(=O)Nc1ccc2c(c1)Cc1c2cccc1
AS:
id: AS
name: 2-deoxy-adenosine -5'-thio-monophosphate
synonyms:
- (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(dihydroxyphosphinothioyloxymethyl)oxolan-3-ol
- A
- 2'-deoxy-5'-O-thiophosphonoadenosine
identifiers:
- ns: pdb-ccd
id: AS
structure: O[C@H]1C[C@H](O[C@@H]1COP(=S)([O-])[O-])n1cnc2c1ncnc2N
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
ASU:
id: ASU
name: 4'-thio-2'4'-dideoxyribofuranose-5'-phosphate
synonyms:
- N
- 2-deoxy-5-O-phosphono-4-thio-alpha-D-erythro-pentofuranose
- '[(2R,3S,5S)-3,5-dihydroxythiolan-2-yl]methyl dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: ASU
structure: O[C@H]1C[C@@H](S[C@H]1COP(=O)([O-])[O-])O
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
ATD:
id: ATD
name: thymidine-3'-phosphate
synonyms:
- 3'-thymidylic acid
- '[(2R,3S,5S)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-3-yl]
dihydrogen phosphate'
- T
identifiers:
- ns: pdb-ccd
id: ATD
structure: OC[C@H]1O[C@@H](C[C@@H]1OP(=O)([O-])[O-])n1cc(C)c(=O)[nH]c1=O
base_monomers:
- T
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
ATM:
id: ATM
name: 3'-azido-3'-deoxythymidine-5'-monophosphate
synonyms:
- '[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
- 3'-azido-3'-deoxythymidine 5'-(dihydrogen phosphate)
- T
identifiers:
- ns: pdb-ccd
id: ATM
structure: '[N-]=[N+]=N[C@H]1C[C@H](O[C@@H]1COP(=O)([O-])[O-])n1cc(C)c(=O)[nH]c1=O'
base_monomers:
- T
l_bond_atoms:
- molecule: Monomer
element: P
position: 14
l_displaced_atoms:
- molecule: Monomer
element: O
position: 17
charge: -1
B7C:
id: B7C
name: 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-7,8-dihydropyrido[2,3-d]pyrimidin-2(3h)-one
synonyms:
- '[(2R,3S,5R)-3-hydroxy-5-(2-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-3-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
- 3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7,8-dihydropyrido[2,3-d]pyrimidin-2(3H)-one
identifiers:
- ns: pdb-ccd
id: B7C
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1cc2C=CCNc2nc1=O
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 14
charge: -1
BGM:
id: BGM
name: 8-bromo-2'-deoxyguanosine-5'-monophosphate
synonyms:
- '[(2R,3S,5R)-5-(2-amino-8-bromo-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- G
- 8-bromo-2'-deoxyguanosine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: BGM
structure: O[C@@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1c(Br)nc2c1nc(N)[nH]c2=O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
BMN:
id: BMN
name: (1r)-1,4-anhydro-2-deoxy-1-(3-methoxynaphthalen-2-yl)-5-o-phosphono-d-erythro-pentitol
synonyms:
- '[(2R,3S,5R)-5-(3-methoxynaphthalen-2-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen
phosphate'
- (1R)-1,4-anhydro-2-deoxy-1-(3-methoxynaphthalen-2-yl)-5-O-phosphono-D-erythro-pentitol
identifiers:
- ns: pdb-ccd
id: BMN
structure: COc1cc2ccccc2cc1[C@H]1C[C@H]([C@@H](O1)COP(=O)([O-])[O-])O
r_bond_atoms:
- molecule: Monomer
element: O
position: 27
l_bond_atoms:
- molecule: Monomer
element: P
position: 23
r_displaced_atoms:
- molecule: Monomer
element: H
position: 27
l_displaced_atoms:
- molecule: Monomer
element: O
position: 25
charge: -1
BRU:
id: BRU
name: 5-bromo-2'-deoxyuridine-5'-monophosphate
synonyms:
- '[(2R,3S,5R)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- 5-bromo-2'-deoxyuridine 5'-(dihydrogen phosphate)
- U
identifiers:
- ns: pdb-ccd
id: BRU
structure: O[C@H]1C[C@@H](O[C@H]1COP(=O)([O-])[O-])n1cc(Br)c(=O)[nH]c1=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
BVP:
id: BVP
name: (e)-5-(2-bromovinyl)-2'-deoxyuridine-5'-monophosphate
synonyms:
- '[(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- 5-[(E)-2-bromoethenyl]-2'-deoxyuridine 5'-(dihydrogen phosphate)
- U
identifiers:
- ns: pdb-ccd
id: BVP
structure: Br/C=C/c1cn([C@H]2C[C@@H]([C@@H](O2)COP(=O)(O)O)O)c(=O)[nH]c1=O
BZG:
id: BZG
name: 6-(benzyloxy)-9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-9h-purin-2-amine
synonyms:
- N
- '[(2R,3S,5R)-5-(2-azanyl-6-phenylmethoxy-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- 6-(benzyloxy)-9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purin-2-amine
identifiers:
- ns: pdb-ccd
id: BZG
structure: O[C@H]1C[C@H](O[C@H]1COP(=O)(O)O)n1cnc2c1nc(N)nc2OCc1ccccc1
C2S:
id: C2S
name: cytidine-5'-dithiophosphorate
synonyms:
- 2'-deoxy-5'-O-[(dithiophosphono)]cytidine
- 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-[(hydroxy-sulfanyl-phosphinothioyl)oxymethyl]oxolan-2-yl]pyrimidin-2-one
- C
identifiers:
- ns: pdb-ccd
id: C2S
structure: O[C@H]1C[C@H](O[C@@H]1CO[P@](=S)(S)[O-])n1ccc(nc1=O)N
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
C36:
id: C36
name: 5-methyl-5-fluoro-2'-deoxy-cytidine-5'-monophosphate
synonyms:
- 2'-deoxy-5-fluoro-5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate)
- C
- '[(2R,3S,5R)-5-[(5R)-4-amino-5-fluoro-5-(hydroxymethyl)-2-oxo-6H-pyrimidin-1-yl]-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: C36
structure: OC[C@@]1(F)CN([C@@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)C(=O)N=C1N
base_monomers:
- C
C37:
id: C37
name: 5-fluoro-2'-deoxy-cytidine-5'-monophosphate
synonyms:
- '[(2R,3S,5R)-5-(4-amino-5-fluoro-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- C
- 2'-deoxy-5-fluorocytidine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: C37
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)(O)O)n1cc(F)c(nc1=O)N
base_monomers:
- C
C38:
id: C38
name: 5-iodo-2'-deoxy-cytidine-5'-monophosphate
synonyms:
- C
- 2'-deoxy-5-iodocytidine 5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-5-(4-amino-5-iodo-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: C38
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)(O)O)n1cc(I)c(nc1=O)N
base_monomers:
- C
C42:
id: C42
name: 3'-amino-2'-deoxy-cytidine-5'-monophosphate
synonyms:
- 3'-amino-2',3'-dideoxycytidine 5'-(dihydrogen phosphate)
- C
- '[(2S,3S,5R)-3-amino-5-(4-amino-2-oxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen
phosphate'
identifiers:
- ns: pdb-ccd
id: C42
structure: N[C@H]1C[C@@H](O[C@H]1COP(=O)(O)O)n1ccc(nc1=O)N
base_monomers:
- C
C45:
id: C45
name: n4-methoxy-2'-deoxy-cytidine-5'-monophosphate
synonyms:
- 2'-deoxy-N-methoxycytidine 5'-(dihydrogen phosphate)
- C
- '[(2R,3S,5R)-3-hydroxy-5-[4-(methoxyamino)-2-oxo-pyrimidin-1-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: C45
structure: CONc1ccn(c(=O)n1)[C@H]1C[C@@H]([C@@H](O1)COP(=O)(O)O)O
base_monomers:
- C
C46:
id: C46
name: 6h,8h-3,4-dihydropyrimido[4,5-c][1,2]oxazin-7-0ne(cytidine)-5'-monophosphate
synonyms:
- C
- '[(2R,3S,5R)-3-hydroxy-5-(7-oxo-3,4-dihydro-1H-pyrimido[4,5-c][1,2]oxazin-6-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
- 6-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4,6-dihydro-1H-pyrimido[4,5-c][1,2]oxazin-7(3H)-one
identifiers:
- ns: pdb-ccd
id: C46
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)(O)O)n1cc2CCONc2nc1=O
base_monomers:
- C
C49:
id: C49
name: 4-thio,5-fluoro,5-methyl-2'-deoxy-cytidine-5'-monophosphate
synonyms:
- 2'-deoxy-5-fluoro-5-methyl-6-thioxocytidine 5'-(dihydrogen phosphate)
- C
- '[(2R,3S)-5-[(5R)-5-fluoro-4-imino-5-methyl-2-oxo-6-sulfanylidene-1,3-diazinan-1-yl]-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: C49
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)(O)O)N1C(=O)NC(=N)[C@@](C1=S)(C)F
base_monomers:
- C
C4S:
id: C4S
name: 2'-deoxy-4'-thiocytidine 5'-(dihydrogen phosphate)
synonyms:
- '[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-thiolan-2-yl]methyl
dihydrogen phosphate'
- C
- 2'-deoxy-4'-thiocytidine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: C4S
structure: O[C@H]1C[C@@H](S[C@H]1COP(=O)(O)O)n1ccc(nc1=O)N
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
C6G:
id: C6G
name: 6-(carboxymethoxy)-9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-9h-purin-2-amine
synonyms:
- 6-(carboxymethoxy)-9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purin-2-amine
- 2-[2-azanyl-9-[(2R,4S,5R)-4-oxidanyl-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]oxyethanoic
acid
identifiers:
- ns: pdb-ccd
id: C6G
structure: OC(=O)COc1nc(N)nc2c1ncn2[C@@H]1C[C@@H]([C@@H](O1)COP(=O)([O-])[O-])O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 30
l_bond_atoms:
- molecule: Monomer
element: P
position: 26
r_displaced_atoms:
- molecule: Monomer
element: H
position: 30
l_displaced_atoms:
- molecule: Monomer
element: O
position: 29
charge: -1
C7R:
id: C7R
name: 2'-deoxy-5'-o-thiophosphonocytidine
synonyms:
- '[(2~{R},3~{S},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphinic
acid'
- 2'-deoxy-5'-O-thiophosphonocytidine
identifiers:
- ns: pdb-ccd
id: C7R
structure: O[C@@H]1C[C@H](O[C@@H]1CO[P@@](=O)(S)[O-])n1ccc(nc1=O)N
base_monomers:
- C
C7S:
id: C7S
name: 2'-deoxy-5'-o-thiophosphonocytidine
synonyms:
- '[(2~{R},3~{S},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphinic
acid'
- 2'-deoxy-5'-O-thiophosphonocytidine
identifiers:
- ns: pdb-ccd
id: C7S
structure: O[C@@H]1C[C@H](O[C@H]1CO[P@](=O)(S)[O-])n1ccc(nc1=O)N
base_monomers:
- C
CBR:
id: CBR
name: 5-bromo-2'-deoxy-cytidine-5'-monophosphate
synonyms:
- C
- '[(2R,3S,5R)-5-(4-amino-5-bromo-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- 5-bromo-2'-deoxycytidine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: CBR
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1cc(Br)c(nc1=O)N
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
CDW:
id: CDW
name: (4r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1,3-diazabicyclo[2.2.0]hex-5-en-2-one
synonyms:
- '[(2R,3S,5R)-3-hydroxy-5-[(4R)-6-oxo-1,5-diazabicyclo[2.2.0]hex-2-en-5-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
- C
- (4R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1,3-diazabicyclo[2.2.0]hex-5-en-2-one
identifiers:
- ns: pdb-ccd
id: CDW
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)(O)O)N1C(=O)N2[C@H]1C=C2
base_monomers:
- C
CFL:
id: CFL
name: 4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)pyrimidin-2(1h)-one
synonyms:
- 4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one
- C
- '[(2R,3R,4S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: CFL
structure: O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H]([C@H]1F)n1ccc(nc1=O)N
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
CFZ:
id: CFZ
name: 2'-deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate)
synonyms:
- '[(2R,3R,4R,5R)-5-(4-azanyl-2-oxo-pyrimidin-1-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-deoxy-2'-fluorocytidine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: CFZ
structure: O[C@H]1[C@H](COP(=O)(O)O)O[C@H]([C@@H]1F)n1ccc(nc1=O)N
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
CGY:
id: CGY
name: (1r)-1,4-anhydro-2-deoxy-1-[2,6-diamino-5-(dihydroxyamino)pyridin-3-yl]-5-o-phosphono-d-erythro-pentitol
synonyms:
- '[(2~{R},3~{S},5~{R})-5-[2,6-bis(azanyl)-5-[bis(oxidanyl)amino]pyridin-3-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- (1R)-1,4-anhydro-2-deoxy-1-[2,6-diamino-5-(dihydroxyamino)pyridin-3-yl]-5-O-phosphono-D-erythro-pentitol
identifiers:
- ns: pdb-ccd
id: CGY
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)c1cc(N(O)O)c(nc1N)N
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
CJ1:
id: CJ1
name: 7-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-7h-pyrrolo[2,3-d]pyrimidine-2,4-diol
synonyms:
- 7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diol
- '[(2~{R},3~{S},5~{R})-5-[2,4-bis(oxidanyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: CJ1
structure: Oc1nc(O)c2c(n1)n(cc2)[C@H]1O[C@@H]([C@@H](C1)O)COP(=O)(O)O
r_bond_atoms:
- molecule: Monomer
element: O
position: 20
r_displaced_atoms:
- molecule: Monomer
element: H
position: 20
CMR:
id: CMR
name: 2'-deoxy-cytidine-5'-rp-monomethylphosphonate
synonyms:
- '[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methoxy-methyl-phosphinic
acid'
- 2'-deoxy-5'-O-[(S)-hydroxy(methyl)phosphoryl]cytidine
- C
identifiers:
- ns: pdb-ccd
id: CMR
structure: O[C@@H]1C[C@@H](O[C@@H]1CO[P@](=O)(C)[O-])n1ccc(nc1=O)N
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
CP1:
id: CP1
name: 2-(methylamino)-ethylglycine-carbonylmethylene-cytosine
synonyms:
- C
- 2-[2-(4-amino-2-oxo-pyrimidin-1-yl)ethanoyl-(2-methylaminoethyl)amino]ethanoic
acid
- N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]-N-[2-(methylamino)ethyl]glycine
identifiers:
- ns: pdb-ccd
id: CP1
structure: CNCCN(C(=O)Cn1ccc(nc1=O)N)CC(=O)O
base_monomers:
- C
CSL:
id: CSL
name: (d)-2'-methylselenyl-2'-deoxycytidine-5'-phosphate
synonyms:
- C
- '[(2R,3R,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-4-methylselanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-Se-methyl-2'-selenocytidine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: CSL
structure: C[Se][C@H]1[C@@H](O)[C@H](O[C@H]1n1ccc(nc1=O)N)COP(=O)(O)O
base_monomers:
- C
CSM:
id: CSM
name: 1-{2,5-anhydro-6-o-methyl-4-[(phosphonooxy)methyl]-alpha-l-mannofuranosyl}pyrimidine-2,4(1h,3h)-dione
synonyms:
- 1-{2,5-anhydro-6-O-methyl-4-[(phosphonooxy)methyl]-alpha-L-mannofuranosyl}pyrimidine-2,4(1H,3H)-dione
- '[(1R,3S,4R,6R,7S)-6-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-(methoxymethyl)-7-oxidanyl-2,5-dioxabicyclo[2.2.1]heptan-4-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: CSM
structure: COC[C@H]1O[C@@H]2[C@@H]([C@]1(COP(=O)([O-])[O-])O[C@@H]2n1ccc(=O)[nH]c1=O)O
r_bond_atoms:
- molecule: Monomer
element: O
position: 30
l_bond_atoms:
- molecule: Monomer
element: P
position: 14
r_displaced_atoms:
- molecule: Monomer
element: H
position: 30
l_displaced_atoms:
- molecule: Monomer
element: O
position: 16
charge: -1
CX2:
id: CX2
name: 2'-deoxy-5'-o-{(r)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}cytidine
synonyms:
- 2'-deoxy-5'-O-{(R)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}cytidine
- '[(2R,3S,5R)-5-(4-azanyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methoxy-N-(2-sulfanylethyl)phosphonamidic
acid'
identifiers:
- ns: pdb-ccd
id: CX2
structure: '[O-][P@@](=O)(OC[C@@H]1O[C@H](C[C@H]1O)n1ccc(nc1=O)N)NCCS'
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 14
r_displaced_atoms:
- molecule: Monomer
element: H
position: 14
D00:
id: D00
name: 2'-deoxy-n-ethylcytidine 5'-(dihydrogen phosphate)
synonyms:
- 2'-deoxy-N-ethylcytidine 5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-5-[4-(ethylamino)-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: D00
structure: CCNc1ccn(c(=O)n1)[C@@H]1C[C@H]([C@H](O1)COP(=O)(O)O)O
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 25
r_displaced_atoms:
- molecule: Monomer
element: H
position: 25
D3:
id: D3
name: 1-(2-deoxy-beta-d-ribofuranosyl)-4-(3-benzamido)phenylimidazole
synonyms:
- N
- 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-{3-[(phenylcarbonyl)amino]phenyl}-1H-imidazole
- '[(2R,3S,5R)-5-[4-(3-benzamidophenyl)imidazol-1-yl]-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: D3
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)([O-])[O-])n1cnc(c1)c1cccc(c1)NC(=O)c1ccccc1
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
D33:
id: D33
name: 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-imidazole
synonyms:
- N
- 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-imidazole
- '[(2R,3S,5R)-3-hydroxy-5-imidazol-1-yl-oxolan-2-yl]methyl dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: D33
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1cncc1
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
D3N:
id: D3N
name: 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-perimidin-2(3h)-one
synonyms:
- '[(2R,3S,5R)-3-oxidanyl-5-(2-oxidanylidene-3H-perimidin-1-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
- 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-perimidin-2(3H)-one
identifiers:
- ns: pdb-ccd
id: D3N
structure: O[C@H]1C[C@H](O[C@H]1COP(=O)(O)O)n1c(=O)[nH]c2c3c1cccc3ccc2
D3T:
id: D3T
name: 2',3'-dideoxy-thymidine-5'-triphosphate
synonyms:
- (hydroxy-phosphonooxy-phosphoryl) [(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl
hydrogen phosphate
- T
identifiers:
- ns: pdb-ccd
id: D3T
structure: O=c1[nH]c(=O)n(cc1C)[C@H]1CC[C@H](O1)CO[P@](=O)(O[P@](=O)(OP(=O)(O)O)O)O
base_monomers:
- T
D4B:
id: D4B
name: '[(2~{r},3~{s},5~{r})-5-[4-azanyl-5-[2-(4-ethynylphenyl)ethynyl]-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
synonyms:
- '[(2~{R},3~{S},5~{R})-5-[4-azanyl-5-[2-(4-ethynylphenyl)ethynyl]-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- C
identifiers:
- ns: pdb-ccd
id: D4B
structure: C#Cc1ccc(cc1)C#Cc1cn([C@@H]2C[C@@H]([C@@H](O2)COP(=O)(O)O)O)c(=O)nc1N
base_monomers:
- C
D4M:
id: D4M
name: '[(5r)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2,5-dihydrofuran-2-yl]methyl
dihydrogen phosphate'
synonyms:
- '[(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl
dihydrogen phosphate'
- T
- '[(2S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,5-dihydrofuran-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: D4M
structure: O=c1[nH]c(=O)n(cc1C)[C@@H]1C=C[C@H](O1)COP(=O)([O-])[O-]
base_monomers:
- T
l_bond_atoms:
- molecule: Monomer
element: P
position: 20
l_displaced_atoms:
- molecule: Monomer
element: O
position: 23
charge: -1
DCT:
id: DCT
name: 2',3'-dideoxycytidine 5'-triphosphate
synonyms:
- '[(2S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl)
hydrogen phosphate'
- C
identifiers:
- ns: pdb-ccd
id: DCT
structure: Nc1ccn(c(=O)n1)[C@H]1CC[C@@H](O1)CO[P@](=O)(O[P@](=O)(OP(=O)(O)O)O)O
base_monomers:
- C
DCZ:
id: DCZ
name: 2'-deoxycytidine
synonyms:
- 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
- 2'-deoxycytidine
identifiers:
- ns: pdb-ccd
id: DCZ
structure: OC[C@@H]1O[C@H](C[C@@H]1O)n1ccc(nc1=O)N
r_bond_atoms:
- molecule: Monomer
element: O
position: 11
r_displaced_atoms:
- molecule: Monomer
element: H
position: 11
DDG:
id: DDG
name: 2',3'-dideoxy-guanosine-5'-monophosphate
synonyms:
- G
- '[(2S,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl
dihydrogen phosphate'
- '[(2S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: DDG
structure: Nc1[nH]c(=O)c2c(n1)n(cn2)[C@@H]1CC[C@H](O1)COP(=O)([O-])[O-]
base_monomers:
- G
l_bond_atoms:
- molecule: Monomer
element: P
position: 22
l_displaced_atoms:
- molecule: Monomer
element: O
position: 24
charge: -1
DDN:
id: DDN
name: 3,4-dihydro-2'-deoxyuridine-5'-monophosphate
synonyms:
- '[(2R,3S,5R)-3-hydroxy-5-[(4R)-4-hydroxy-2-oxo-3,4-dihydropyrimidin-1-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
- (4R)-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one
- U
identifiers:
- ns: pdb-ccd
id: DDN
structure: O[C@H]1C=CN(C(=O)N1)[C@@H]1C[C@@H]([C@H](O1)COP(=O)(O)O)O
DDX:
id: DDX
name: 2',3'-dehydro-2',3'-dideoxyribofuranose-5'-phosphate
synonyms:
- N
- '[(2S,5S)-5-hydroxy-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: DDX
structure: O[C@@H]1C=C[C@H](O1)COP(=O)([O-])[O-]
l_bond_atoms:
- molecule: Monomer
element: P
position: 11
l_displaced_atoms:
- molecule: Monomer
element: O
position: 14
charge: -1
DFT:
id: DFT
name: 1-[2-deoxyribofuranosyl]-2,4-difluoro-5-methyl-benzene-5'monophosphate
synonyms:
- N
- '[(2R,3S,5R)-5-(2,4-difluoro-5-methyl-phenyl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen
phosphate'
- (1R)-1,4-anhydro-2-deoxy-1-(2,4-difluoro-5-methylphenyl)-5-O-phosphono-D-erythro-pentitol
identifiers:
- ns: pdb-ccd
id: DFT
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)([O-])[O-])c1cc(C)c(cc1F)F
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
DG8:
id: DG8
name: 2'-deoxy-8-(pyren-1-ylamino)guanosine 5'-(dihydrogen phosphate)
synonyms:
- 2'-deoxy-8-(pyren-1-ylamino)guanosine 5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-5-[2-azanyl-6-oxidanylidene-8-(pyren-1-ylamino)-1H-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: DG8
structure: Nc1[nH]c(=O)c2c(n1)n([C@@H]1O[C@@H]([C@@H](C1)O)COP(=O)(O)O)c(n2)Nc1ccc2c3c1ccc1c3c(cc2)ccc1
base_monomers:
- G
DGI:
id: DGI
name: 2'-deoxyguanosine-5'-diphosphate
synonyms:
- G
- '[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl phosphono
hydrogen phosphate'
- 2'-deoxyguanosine 5'-(trihydrogen diphosphate)
identifiers:
- ns: pdb-ccd
id: DGI
structure: O[C@H]1C[C@H](O[C@@H]1CO[P@@](=O)(OP(=O)(O)O)O)n1cnc2c1nc(N)[nH]c2=O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
DN:
id: DN
name: unknown 2'-deoxynucleotide
synonyms:
- N
- 1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol
- '[(2R,3S)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: DN
structure: O[C@H]1CCO[C@@H]1COP(=O)([O-])[O-]
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 11
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 13
charge: -1
DNR:
id: DNR
name: 2'-deoxy-n3-protonated cytidine-5'-monophosphate
synonyms:
- '[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- C
- 2'-deoxy-5'-cytidylic acid
identifiers:
- ns: pdb-ccd
id: DNR
structure: O[C@@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1ccc([nH+]c1=O)N
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
DOC:
id: DOC
name: 2',3'-dideoxycytidine-5'-monophosphate
synonyms:
- '[(2S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate'
- C
- '[(2S,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen
phosphate'
identifiers:
- ns: pdb-ccd
id: DOC
structure: Nc1ccn(c(=O)n1)[C@H]1CC[C@@H](O1)COP(=O)([O-])[O-]
base_monomers:
- C
l_bond_atoms:
- molecule: Monomer
element: P
position: 18
l_displaced_atoms:
- molecule: Monomer
element: O
position: 21
charge: -1
DPB:
id: DPB
name: (s)-1-[2'-deoxy-3',5'-o-(1-phosphono)benzylidene-b-d-threo-pentofuranosyl]thymine
synonyms:
- '[(2S,4aS,6S,7aS)-6-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2-phenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-2-yl]phosphonic
acid'
- 1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-L-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione
- T
identifiers:
- ns: pdb-ccd
id: DPB
structure: O=c1[nH]c(=O)n(cc1C)[C@@H]1C[C@@H]2[C@H](O1)CO[C@@](O2)(c1ccccc1)P(=O)([O-])[O-]
base_monomers:
- T
l_bond_atoms:
- molecule: Monomer
element: P
position: 29
l_displaced_atoms:
- molecule: Monomer
element: O
position: 32
charge: -1
DPY:
id: DPY
name: 2-deoxyribofuranosyl-pyridine-2,6-dicarboxylic acid-5'-monophosphate
synonyms:
- N
- (1R)-1,4-anhydro-2-deoxy-1-(2,6-dicarboxypyridin-3-yl)-5-O-phosphono-D-erythro-pentitol
- 3-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]pyridine-2,6-dicarboxylic
acid
identifiers:
- ns: pdb-ccd
id: DPY
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)c1ccc(nc1C(=O)O)C(=O)O
DRM:
id: DRM
name: '{[(1r,2s)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclopentyl]oxy}methylphosphonic
acid'
synonyms:
- '[(1R,2R)-2-(2,4-dioxopyrimidin-1-yl)cyclopentyl]oxymethylphosphonic acid'
- ({[(1R,2R)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]oxy}methyl)phosphonic
acid
- U
identifiers:
- ns: pdb-ccd
id: DRM
structure: O=c1ccn(c(=O)[nH]1)[C@@H]1CCC[C@@H]1OCP(=O)([O-])[O-]
l_bond_atoms:
- molecule: Monomer
element: P
position: 19
l_displaced_atoms:
- molecule: Monomer
element: O
position: 22
charge: -1
DRP:
id: DRP
name: 2-deoxyribofuranosyl-pyridine-5'-monophosphate
synonyms:
- N
- (1R)-1,4-anhydro-2-deoxy-5-O-phosphono-1-pyridin-3-yl-D-erythro-pentitol
- '[(2R,3S,5R)-3-hydroxy-5-pyridin-3-yl-oxolan-2-yl]methyl dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: DRP
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)c1cccnc1
DRZ:
id: DRZ
name: 3',4'-dihydroxy-pentanal-5'-phosphate
synonyms:
- N
- '[(2R,3S)-2,3-dihydroxy-5-oxo-pentyl] dihydrogen phosphate'
- 2-deoxy-5-O-phosphono-D-erythro-pentose
identifiers:
- ns: pdb-ccd
id: DRZ
structure: O=CC[C@H]([C@@H](COP(=O)([O-])[O-])O)O
r_bond_atoms:
- molecule: Monomer
element: O
position: 15
l_bond_atoms:
- molecule: Monomer
element: P
position: 10
r_displaced_atoms:
- molecule: Monomer
element: H
position: 15
l_displaced_atoms:
- molecule: Monomer
element: O
position: 13
charge: -1
DUZ:
id: DUZ
name: 5-(benzylcarbamoyl)-2'-deoxyuridine 5'-(dihydrogen phosphate)
synonyms:
- 5-(benzylcarbamoyl)-2'-deoxyuridine 5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-5-[2,4-bis(oxidanylidene)-5-[(phenylmethyl)carbamoyl]pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: DUZ
structure: O[C@@H]1C[C@@H](O[C@H]1COP(=O)([O-])[O-])n1cc(C(=O)NCc2ccccc2)c(=O)[nH]c1=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
DX:
id: DX
name: '[(2~{r},3~{s},5~{r})-5-[2,4-bis(oxidanylidene)imidazo[1,2-a][1,3,5]triazin-8-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
synonyms:
- '[(2~{R},3~{S},5~{R})-5-[2,4-bis(oxidanylidene)imidazo[1,2-a][1,3,5]triazin-8-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: DX
structure: O=c1[nH]c(=O)n2c(n1)n(cc2)[C@@H]1O[C@H]([C@@H](C1)O)COP(=O)(O)O
DXD:
id: DXD
name: (1s,3s,4r)-4-(phosphooxymethyl)-cyclopentane-1,3-diol
synonyms:
- N
- '[(1R,2S,4S)-2,4-dihydroxycyclopentyl]methyl dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: DXD
structure: O[C@@H]1C[C@@H](C[C@@H]1COP(=O)([O-])[O-])O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
DZM:
id: DZM
name: 3-deaza-3-methyladenine
synonyms:
- '[(2R,3S,5R)-5-(4-azanyl-7-methyl-imidazo[4,5-c]pyridin-1-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7-methyl-1H-imidazo[4,5-c]pyridin-4-amine
- A
identifiers:
- ns: pdb-ccd
id: DZM
structure: O[C@@H]1C[C@@H](O[C@H]1COP(=O)([O-])[O-])n1cnc2c1c(C)cnc2N
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
E:
id: E
name: n-((-)-(7s,8r,9s,10r)[7,8,9-trihydroxy-7,8,9,10-tetra hydrobenzo[a]pyren-10-yl])-2'-deoxy-adenosine-5'-monophosphate
synonyms:
- 2'-deoxy-N-[(7S,8R,9S,10R)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]adenosine
5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-3-hydroxy-5-[6-[[(7S,8R,9S,10R)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]purin-9-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
- A
identifiers:
- ns: pdb-ccd
id: E
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)([O-])[O-])n1cnc2c1ncnc2N[C@H]1[C@H](O)[C@H](O)[C@@H](c2c1c1ccc3c4c1c(c2)ccc4ccc3)O
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
E1X:
id: E1X
name: phosphoric acid mono-[5-(1-ethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-9-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl]ester
synonyms:
- '[(2R,3S,5R)-5-(1-ethyl-2,6-dioxo-3H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-deoxy-1-ethylxanthosine 5'-(dihydrogen phosphate)
- A
identifiers:
- ns: pdb-ccd
id: E1X
structure: CCn1c(=O)[nH]c2c(c1=O)ncn2[C@@H]1O[C@@H]([C@H](C1)O)COP(=O)([O-])[O-]
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 23
l_bond_atoms:
- molecule: Monomer
element: P
position: 26
r_displaced_atoms:
- molecule: Monomer
element: H
position: 23
l_displaced_atoms:
- molecule: Monomer
element: O
position: 29
charge: -1
EAN:
id: EAN
name: '[(1~{s},2~{r},4~{r},6~{s},8~{r})-8-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl]
dihydrogen phosphate'
synonyms:
- '[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl]
dihydrogen phosphate'
- T
identifiers:
- ns: pdb-ccd
id: EAN
structure: O=c1[nH]c(=O)n(cc1C)[C@@H]1O[C@@H]2[C@@](C1)(O)C[C@H]1[C@]2(C1)OP(=O)(O)O
base_monomers:
- T
EDA:
id: EDA
name: 3-[2-deoxy-ribofuranosyl]-3h-1,3,4,5a,8-pentaaza-as-indacene-5'-monophosphate
synonyms:
- 3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3H-imidazo[2,1-i]purine
- A
- '[(2R,3S,5R)-3-hydroxy-5-imidazo[2,1-f]purin-3-yl-oxolan-2-yl]methyl dihydrogen
phosphate'
identifiers:
- ns: pdb-ccd
id: EDA
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1cnc2c1ncn1c2ncc1
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
EDI:
id: EDI
name: 2'-deoxy-1-(2-iodoethyl)inosine
synonyms:
- '[(2R,3S,5R)-5-[1-(2-iodanylethyl)-6-oxidanylidene-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-deoxy-1-(2-iodoethyl)inosine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: EDI
structure: ICCn1cnc2c(c1=O)ncn2[C@H]1C[C@@H]([C@H](O1)COP(=O)(O)O)O
EHG:
id: EHG
name: 9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-(2-hydroxyethoxy)-9h-purin-2-amine
synonyms:
- '[(2R,3S,5R)-5-[2-azanyl-6-(2-hydroxyethyloxy)purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- 9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-(2-hydroxyethoxy)-9H-purin-2-amine
identifiers:
- ns: pdb-ccd
id: EHG
structure: OCCOc1nc(N)nc2c1ncn2[C@H]1C[C@H]([C@H](O1)COP(=O)([O-])[O-])O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 29
l_bond_atoms:
- molecule: Monomer
element: P
position: 25
r_displaced_atoms:
- molecule: Monomer
element: H
position: 29
l_displaced_atoms:
- molecule: Monomer
element: O
position: 28
charge: -1
EXC:
id: EXC
name: 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-8-hydroxy-7,7,9,9-tetramethyl-7,8,9,11-tetrahydropyrimido[4',5':5,6][1,4]oxazino[2,3-f]isoindol-2(3h)-one
radical
synonyms:
- 3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-8-hydroxy-7,7,9,9-tetramethyl-7,8,9,11-tetrahydropyrimido[4',5':5,6][1,4]oxazino[2,3-f]isoindol-2(3H)-one
identifiers:
- ns: pdb-ccd
id: EXC
structure: O[C@@H]1C[C@@H](O[C@H]1COP(=O)([O-])[O-])n1cc2oc3cc4c(cc3[nH]c2nc1=O)C(N(C4(C)C)O)(C)C
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 14
charge: -1
F3H:
id: F3H
name: 1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-6-o-phosphono-d-altritol
synonyms:
- 1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-altritol
- '[(2R,3R,4S,5R)-4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: F3H
structure: F[C@H]1[C@H](O)[C@H](OC[C@@H]1n1cc(C)c(=O)[nH]c1=O)COP(=O)([O-])[O-]
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 6
l_bond_atoms:
- molecule: Monomer
element: P
position: 25
r_displaced_atoms:
- molecule: Monomer
element: H
position: 6
l_displaced_atoms:
- molecule: Monomer
element: O
position: 28
charge: -1
F4H:
id: F4H
name: 1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-6-o-phosphono-d-mannitol
synonyms:
- 1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-mannitol
- '[(2R,3R,4R,5R)-4-fluoranyl-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: F4H
structure: F[C@H]1[C@@H](O)[C@@H](OC[C@@H]1n1cc(C)c(=O)[nH]c1=O)COP(=O)(O)O
base_monomers:
- T
F4Q:
id: F4Q
name: '[(1~{s},2~{r},4~{r},6~{s},8~{r})-8-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl]
dihydrogen phosphate'
synonyms:
- G
- '[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl]
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: F4Q
structure: Nc1[nH]c(=O)c2c(n1)n(cn2)[C@@H]1O[C@@H]2[C@@](C1)(O)C[C@H]1[C@@]2(C1)OP(=O)(O)O
base_monomers:
- G
F5H:
id: F5H
name: 3,7-anhydro-1,5,6-trideoxy-5-fluoro-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-o-phosphono-d-glycero-l-altro-heptitol
synonyms:
- 3,7-anhydro-1,5,6-trideoxy-5-fluoro-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-O-phosphono-D-glycero-L-altro-heptitol
- '[(1S)-1-[(2S,3R,4S,5R)-4-fluoranyl-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxan-2-yl]ethyl]
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: F5H
structure: F[C@@H]1[C@@H](O)[C@@H](OC[C@@H]1n1cc(C)c(=O)[nH]c1=O)[C@@H](OP(=O)(O)O)C
F6H:
id: F6H
name: 3,7-anhydro-1,5,6-trideoxy-5-fluoro-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2-o-phosphono-d-glycero-l-allo-heptitol
synonyms:
- 3,7-anhydro-1,5,6-trideoxy-5-fluoro-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-O-phosphono-D-glycero-L-allo-heptitol
- '[(1R)-1-[(2S,3R,4S,5R)-4-fluoranyl-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxan-2-yl]ethyl]
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: F6H
structure: F[C@H]1[C@H](O)[C@H](OC[C@@H]1n1cc(C)c(=O)[nH]c1=O)[C@H](OP(=O)([O-])[O-])C
l_bond_atoms:
- molecule: Monomer
element: P
position: 26
l_displaced_atoms:
- molecule: Monomer
element: O
position: 28
charge: -1
F7H:
id: F7H
name: 4-azanyl-1-[(1~{s},2~{r},4~{s},6~{s},8~{r})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one
synonyms:
- C
- 4-azanyl-1-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one
identifiers:
- ns: pdb-ccd
id: F7H
structure: Cc1cn([C@H]2C[C@]3([C@@H](O2)[C@]2([C@H](C3)C2)O)O)c(=O)nc1N
base_monomers:
- C
F7K:
id: F7K
name: 2-azanyl-9-[(1~{s},2~{r},4~{s},6~{s},8~{r})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-1~{h}-purin-6-one
synonyms:
- G
- 2-azanyl-9-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-1~{H}-purin-6-one
identifiers:
- ns: pdb-ccd
id: F7K
structure: Nc1[nH]c(=O)c2c(n1)n(cn2)[C@H]1O[C@@H]2[C@](C1)(O)C[C@H]1[C@]2(O)C1
base_monomers:
- G
FAG:
id: FAG
name: "[1',2'-dideoxy[2-amino-5-([9-hydroxy-aflatoxinb2-8-yl]-formyl-amino)-6-oxo-1,6-ihydro-pyrimidin-4-ylamino]-ribofuranose]-5-monophosphate\
\ group"
synonyms:
- N
- N-(2-amino-5-{formyl[(6aS,8R,9R,9aR)-9-hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl]amino}-6-oxo-1,6-dihydropyrimidin-4-yl)-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine
identifiers:
- ns: pdb-ccd
id: FAG
structure: O=CN(c1c(N[C@H]2C[C@H]([C@H](O2)COP(=O)(O)O)O)nc([nH]c1=O)N)[C@@H]1O[C@@H]2[C@@H]([C@@H]1O)c1c(O2)cc(c2c1oc(=O)c1c2CCC1=O)OC
r_bond_atoms:
- molecule: Monomer
element: O
position: 21
r_displaced_atoms:
- molecule: Monomer
element: H
position: 21
FAX:
id: FAX
name: '[(1r,2s,4r)-4-{[6-amino-5-(formylamino)pyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl
dihydrogen phosphate'
synonyms:
- '[(1R,2S,4R)-4-{[6-amino-5-(formylamino)pyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl
dihydrogen phosphate'
- '[(1R,2S,4R)-4-[(6-azanyl-5-formamido-pyrimidin-4-yl)amino]-2-oxidanyl-cyclopentyl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: FAX
structure: O=CNc1c(ncnc1N)N[C@H]1C[C@H]([C@H](C1)O)COP(=O)([O-])[O-]
l_bond_atoms:
- molecule: Monomer
element: P
position: 23
l_displaced_atoms:
- molecule: Monomer
element: O
position: 25
charge: -1
FDG:
id: FDG
name: 2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-7,9-dihydro-1h-purine-6,8-dione
synonyms:
- '[(2R,3R,4S,5R)-5-(2-azanyl-6,8-dioxo-1,7-dihydropurin-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- 2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-7,9-dihydro-1H-purine-6,8-dione
identifiers:
- ns: pdb-ccd
id: FDG
structure: O[C@H]1[C@H](COP(=O)([O-])[O-])O[C@H]([C@H]1F)n1c(=O)[nH]c2c1nc(N)[nH]c2=O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 8
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 11
charge: -1
FFD:
id: FFD
name: (1r)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-5-o-phosphono-d-erythro-pentitol
synonyms:
- N
- '[(2R,3S,5R)-5-(3-fluorophenyl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate'
- (1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-5-O-phosphono-D-erythro-pentitol
identifiers:
- ns: pdb-ccd
id: FFD
structure: O[C@@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)c1cccc(c1)F
FMG:
id: FMG
name: 2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-7-methyl-6-oxo-6,9-dihydro-1h-purin-7-ium
synonyms:
- G
- 2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium
- '[(2R,3R,4S,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-7-ium-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: FMG
structure: O[C@@H]1[C@@H](COP(=O)([O-])[O-])O[C@H]([C@@H]1F)n1c[n+](c2c1nc(N)[nH]c2=O)C
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 8
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 11
charge: -1
FNU:
id: FNU
name: 6-amino-5-fluorouridine 5'-(dihydrogen phosphate)
synonyms:
- '[(2R,3S,4R,5R)-5-(6-azanyl-5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- 6-amino-5-fluorouridine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: FNU
structure: O[C@@H]1[C@@H](O)[C@@H](O[C@@H]1n1c(=O)[nH]c(=O)c(c1N)F)COP(=O)(O)O
r_bond_atoms:
- molecule: Monomer
element: O
position: 6
r_displaced_atoms:
- molecule: Monomer
element: H
position: 6
FOX:
id: FOX
name: ((1r,2s,4r)-4-{[2-amino-5-(formylamino)-6-oxo-3,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl)methyl
5'-phosphate
synonyms:
- G
- '[(1R,2S,4R)-4-{[2-amino-5-(formylamino)-6-oxo-3,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl
dihydrogen phosphate'
- '[(1R,2S,4R)-4-[(2-amino-5-formamido-6-oxo-3H-pyrimidin-4-yl)amino]-2-hydroxy-cyclopentyl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: FOX
structure: O=CNc1c(=O)nc([nH]c1N[C@H]1C[C@@H]([C@H](C1)O)COP(=O)(O)O)N
base_monomers:
- G
G2S:
id: G2S
name: guanosine-5'-dithiophosphorate
synonyms:
- G
- 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-[(hydroxy-sulfanyl-phosphinothioyl)oxymethyl]oxolan-2-yl]-1H-purin-6-one
- 2'-deoxy-5'-O-[(dithiophosphono)]guanosine
identifiers:
- ns: pdb-ccd
id: G2S
structure: O[C@H]1C[C@H](O[C@@H]1CO[P@](=S)(S)[O-])n1cnc2c1nc(N)[nH]c2=O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
G31:
id: G31
name: 3'-methyl-2',3'-deoxy-guanosine-5'-monophosphate
synonyms:
- 2',3'-dideoxy-3'-methylguanosine 5'-(dihydrogen phosphate)
- G
- '[(2S,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-methyl-oxolan-2-yl]methyl dihydrogen
phosphate'
identifiers:
- ns: pdb-ccd
id: G31
structure: C[C@@H]1C[C@H](O[C@@H]1COP(=O)(O)O)n1cnc2c1nc(N)[nH]c2=O
base_monomers:
- G
G35:
id: G35
name: (5r)-5-carbamimidamido-1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)imidazolidine-2,4-dione
synonyms:
- '[(2R,3S,5R)-5-[(5R)-5-carbamimidamido-2,4-dioxo-imidazolidin-1-yl]-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: G35
structure: NC(=N)N[C@H]1C(=O)NC(=O)N1[C@@H]1C[C@H]([C@@H](O1)COP(=O)([O-])[O-])O
r_bond_atoms:
- molecule: Monomer
element: O
position: 27
l_bond_atoms:
- molecule: Monomer
element: P
position: 23
r_displaced_atoms:
- molecule: Monomer
element: H
position: 27
l_displaced_atoms:
- molecule: Monomer
element: O
position: 26
charge: -1
G36:
id: G36
name: o6-ethyl-2'-deoxyguanosine-5'-monophosphate
synonyms:
- G
- 9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-ethoxy-9H-purin-2-amine
- '[(2R,3S,5R)-5-(2-amino-6-ethoxy-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen
phosphate'
identifiers:
- ns: pdb-ccd
id: G36
structure: CCOc1nc(N)nc2c1ncn2[C@@H]1C[C@@H]([C@H](O1)COP(=O)(O)O)O
base_monomers:
- G
G38:
id: G38
name: 3'-amino-2'-deoxy-guanosine-5'-monophosphate
synonyms:
- G
- '[(2S,3S,5R)-3-amino-5-(2-amino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen
phosphate'
- 3'-amino-2',3'-dideoxyguanosine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: G38
structure: N[C@@H]1C[C@H](O[C@@H]1COP(=O)(O)O)n1cnc2c1nc(N)[nH]c2=O
base_monomers:
- G
G47:
id: G47
name: n2-ethanethiol-2'-deoxy-guanosine-5'-monophosphate
synonyms:
- G
- 2'-deoxy-N-(2-sulfanylethyl)guanosine 5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-3-hydroxy-5-[6-oxo-2-(2-sulfanylethylamino)-1H-purin-9-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: G47
structure: SCCNc1[nH]c(=O)c2c(n1)n(cn2)[C@@H]1C[C@@H]([C@H](O1)COP(=O)(O)O)O
base_monomers:
- G
G49:
id: G49
name: n2-methyl-2'-deoxy-guanosine-5'-monophosphate
synonyms:
- G
- '[(2R,3S,5R)-3-hydroxy-5-(2-methylamino-6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-deoxy-N-methylguanosine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: G49
structure: CNc1[nH]c(=O)c2c(n1)n(cn2)[C@@H]1C[C@@H]([C@H](O1)COP(=O)(O)O)O
base_monomers:
- G
GCK:
id: GCK
name: phosphoric acid 9-(2-guanidinoethoxy-3-(2-deoxy-beta-d-erythropentofuranosyl))-3h-pyrimido-[5,4-b][1,4]-benzooxazin-2-one]-5'-ester
synonyms:
- '[amino-[2-[[3-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2-oxo-10H-pyrimido[5,4-b][1,4]benzoxazin-9-yl]oxy]ethylamino]methylidene]azanium'
- C
- 9-(2-{[amino(iminio)methyl]amino}ethoxy)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3H-pyrimido[5,4-b][1,4]benzoxazin-2(10H)-one
identifiers:
- ns: pdb-ccd
id: GCK
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1cc2oc3cccc(c3[nH]c2nc1=O)OCCNC(=[NH2+])N
base_monomers:
- C
GF2:
id: GF2
name: 2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate)
synonyms:
- 2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate)
- '[(2R,3R,4R,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: GF2
structure: O[C@@H]1[C@H](COP(=O)([O-])[O-])O[C@@H]([C@@H]1F)n1cnc2c1nc(N)[nH]c2=O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 8
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 11
charge: -1
GFL:
id: GFL
name: 2-amino-9-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-1,9-dihydro-6h-purin-6-one
synonyms:
- G
- '[(2R,3R,4S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- 2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one
identifiers:
- ns: pdb-ccd
id: GFL
structure: O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H]([C@H]1F)n1cnc2c1nc(N)[nH]c2=O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
GMS:
id: GMS
name: 2'-deoxyguanosine-5'-monoselenophosphate
synonyms:
- G
- 2'-deoxy-5'-O-selenophosphonoguanosine
- '[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-selanyl-phosphinic
acid'
identifiers:
- ns: pdb-ccd
id: GMS
structure: O[C@H]1C[C@@H](O[C@@H]1CO[P@@](=O)([SeH])[O-])n1cnc2c1nc(N)[nH]c2=O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
GN7:
id: GN7
name: n7-2'-deoxy-guanosine-5'-monophosphate
synonyms:
- '[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-7-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen
phosphate'
- G
- 2-amino-7-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1,7-dihydro-6H-purin-6-one
identifiers:
- ns: pdb-ccd
id: GN7
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)([O-])[O-])n1cnc2c1c(=O)[nH]c(n2)N
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
GNE:
id: GNE
name: 1,n2-ethenoguanine
synonyms:
- N
- 3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,5-dihydro-9H-imidazo[1,2-a]purin-9-one
- '[(2R,3S,5R)-3-hydroxy-5-(9-oxo-5H-imidazo[1,2-a]purin-3-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: GNE
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)(O)O)n1cnc2c1nc1[nH]ccn1c2=O
GS:
id: GS
name: guanosine-5'-thio-monophosphate
synonyms:
- G
- '[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-sulfanyl-phosphinic
acid'
- 2'-deoxy-5'-O-thiophosphonoguanosine
identifiers:
- ns: pdb-ccd
id: GS
structure: O[C@H]1C[C@H](O[C@@H]1CO[P@](=O)(S)[O-])n1cnc2c1nc(N)[nH]c2=O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
GSR:
id: GSR
name: 2'-deoxy-n2-(r)styrene oxide guanosine monophosphate
synonyms:
- G
- 2'-deoxy-N-[(1R)-2-hydroxy-1-phenylethyl]guanosine 5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-3-hydroxy-5-[2-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: GSR
structure: OC[C@@H](c1ccccc1)Nc1[nH]c(=O)c2c(n1)n(cn2)[C@@H]1C[C@@H]([C@H](O1)COP(=O)([O-])[O-])O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 37
l_bond_atoms:
- molecule: Monomer
element: P
position: 33
r_displaced_atoms:
- molecule: Monomer
element: H
position: 37
l_displaced_atoms:
- molecule: Monomer
element: O
position: 36
charge: -1
GSS:
id: GSS
name: 2'-deoxy-n2-(s)styrene oxide guanosine monophosphate
synonyms:
- G
- '[(2R,3S,5R)-3-hydroxy-5-[2-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]-6-oxo-1H-purin-9-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-deoxy-N-[(1S)-2-hydroxy-1-phenylethyl]guanosine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: GSS
structure: OC[C@@H](c1ccccc1)Nc1[nH]c(=O)c2c(n1)n(cn2)[C@@H]1C[C@@H]([C@H](O1)COP(=O)([O-])[O-])O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 37
l_bond_atoms:
- molecule: Monomer
element: P
position: 33
r_displaced_atoms:
- molecule: Monomer
element: H
position: 37
l_displaced_atoms:
- molecule: Monomer
element: O
position: 36
charge: -1
GX1:
id: GX1
name: 2'-deoxy-5'-o-{(s)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}guanosine
synonyms:
- '[(2R,3S,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-N-(2-sulfanylethyl)phosphonamidic
acid'
- 2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}guanosine
identifiers:
- ns: pdb-ccd
id: GX1
structure: SCCN[P@](=O)(OC[C@@H]1O[C@H](C[C@H]1O)n1cnc2c1nc(N)[nH]c2=O)[O-]
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 17
r_displaced_atoms:
- molecule: Monomer
element: H
position: 17
HEU:
id: HEU
name: 3-(2-hydroxyethyl)-2'-deoxyuridine-5'-monophosphate
synonyms:
- 2'-deoxy-3-(2-hydroxyethyl)uridine 5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-3-hydroxy-5-[3-(2-hydroxyethyl)-2,4-dioxo-pyrimidin-1-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
- U
identifiers:
- ns: pdb-ccd
id: HEU
structure: OCCn1c(=O)ccn(c1=O)[C@H]1C[C@H]([C@H](O1)COP(=O)([O-])[O-])O
r_bond_atoms:
- molecule: Monomer
element: O
position: 26
l_bond_atoms:
- molecule: Monomer
element: P
position: 22
r_displaced_atoms:
- molecule: Monomer
element: H
position: 26
l_displaced_atoms:
- molecule: Monomer
element: O
position: 25
charge: -1
HN0:
id: HN0
name: 2'-deoxy-n-[(2s,3s,5r)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]guanosine
5'-(dihydrogen phosphate)
synonyms:
- '[(2R,3S,5R)-3-oxidanyl-5-[6-oxidanylidene-2-[[(2S,3S,5R)-5-oxidanyl-2-pentyl-oxolan-3-yl]amino]-1H-purin-9-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-deoxy-N-[(2S,3S,5R)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]guanosine 5'-(dihydrogen
phosphate)
identifiers:
- ns: pdb-ccd
id: HN0
structure: CCCCC[C@@H]1O[C@@H](C[C@H]1Nc1[nH]c(=O)c2c(n1)n(cn2)[C@H]1O[C@H]([C@H](C1)O)COP(=O)([O-])[O-])O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 34
l_bond_atoms:
- molecule: Monomer
element: P
position: 37
r_displaced_atoms:
- molecule: Monomer
element: H
position: 34
l_displaced_atoms:
- molecule: Monomer
element: O
position: 39
charge: -1
HN1:
id: HN1
name: (6s,8r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-8-hydroxy-6-[(1s)-1-hydroxyhexyl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3h)-one
synonyms:
- '[(2R,3S,5R)-3-oxidanyl-5-[(6S,8R)-8-oxidanyl-6-[(1S)-1-oxidanylhexyl]-10-oxidanylidene-4,6,7,8-tetrahydropyrimido[1,2-a]purin-3-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
- (6S,8R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-8-hydroxy-6-[(1S)-1-hydroxyhexyl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one
identifiers:
- ns: pdb-ccd
id: HN1
structure: CCCCC[C@@H]([C@H]1C[C@H](O)n2c(=N1)[nH]c1c(c2=O)ncn1[C@H]1C[C@H]([C@@H](O1)COP(=O)([O-])[O-])O)O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 40
l_bond_atoms:
- molecule: Monomer
element: P
position: 36
r_displaced_atoms:
- molecule: Monomer
element: H
position: 40
l_displaced_atoms:
- molecule: Monomer
element: O
position: 38
charge: -1
HOL:
id: HOL
name: alpha-cholest-5-en-3-yl 3-[(2-deoxy-5-o-phosphono-alpha-d-glycero-pentofuranosyl)oxy]propylcarbamate
synonyms:
- N
- '[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]
N-[3-[(2S,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]oxypropyl]carbamate'
- (3alpha,8alpha)-cholest-5-en-3-yl {3-[(2-deoxy-5-O-phosphono-alpha-D-erythro-pentofuranosyl)oxy]propyl}carbamate
identifiers:
- ns: pdb-ccd
id: HOL
structure: CC(CCC[C@@H]([C@@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@H]2CC=C2[C@]1(C)CC[C@@H](C2)OC(=O)NCCCO[C@H]1C[C@H]([C@@H](O1)COP(=O)([O-])[O-])O)C)C
r_bond_atoms:
- molecule: Monomer
element: O
position: 54
l_bond_atoms:
- molecule: Monomer
element: P
position: 50
r_displaced_atoms:
- molecule: Monomer
element: H
position: 54
l_displaced_atoms:
- molecule: Monomer
element: O
position: 53
charge: -1
IGU:
id: IGU
name: 2'-deoxyisoguanine-5'-monophosphate
synonyms:
- G
- '[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-deoxy-2-oxo-2-hydroadenosine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: IGU
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)([O-])[O-])n1cnc2c1nc(=O)[nH]c2N
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
IMC:
id: IMC
name: n1-[2-deoxy-ribofuranosyl]-[2-amino-5-methyl-4-oxo-4h-pyrimidine]-5'-monophosphate
synonyms:
- 2-amino-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methylpyrimidin-4(1H)-one
- C
- '[(2R,3S,5R)-5-(2-amino-5-methyl-4-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: IMC
structure: O[C@@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1cc(C)c(=O)nc1N
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
JDT:
id: JDT
name: 2'-deoxy-5-ethyluridine 5'-(dihydrogen phosphate)
synonyms:
- 2'-deoxy-5-ethyluridine 5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: JDT
structure: CCc1cn([C@H]2C[C@H]([C@@H](O2)COP(=O)([O-])[O-])O)c(=O)[nH]c1=O
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 20
l_bond_atoms:
- molecule: Monomer
element: P
position: 16
r_displaced_atoms:
- molecule: Monomer
element: H
position: 20
l_displaced_atoms:
- molecule: Monomer
element: O
position: 19
charge: -1
LGP:
id: LGP
name: n9-1-hydroxy-prop-2-oxymethyl-guanine-3'-monophosphate
synonyms:
- G
- (2S)-2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]-3-hydroxypropyl dihydrogen
phosphate
- '[(2S)-2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxy-propyl] dihydrogen
phosphate'
identifiers:
- ns: pdb-ccd
id: LGP
structure: OC[C@@H](COP(=O)([O-])[O-])OCn1cnc2c1nc(N)[nH]c2=O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 7
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 10
charge: -1
LHO:
id: LHO
name: 2-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-6-methylisoquinoline-1(2h)-thione
synonyms:
- 2-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methylisoquinoline-1(2H)-thione
- '[(2R,3S,5R)-5-(6-methyl-1-sulfanylidene-isoquinolin-2-yl)-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: LHO
structure: O[C@@H]1C[C@@H](O[C@H]1COP(=O)([O-])[O-])n1ccc2c(c1=S)ccc(c2)C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 14
charge: -1
LSH:
id: LSH
name: '[(1r,5r,7r,8s)-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl
dihydrogen phosphate'
synonyms:
- '[(1R,5R,7R,8S)-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: LSH
structure: O[C@H]1[C@@H]2NS(=O)(=O)C[C@@]1(COP(=O)(O)O)O[C@@H]2n1cc(C)c(=O)[nH]c1=O
base_monomers:
- T
LST:
id: LST
name: '[(1r,5r,7r,8s)-2-methyl-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl
dihydrogen phosphate'
synonyms:
- '[(1R,5R,7R,8S)-2-methyl-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: LST
structure: O[C@@H]1[C@@H]2[C@H](O[C@@]1(COP(=O)(O)O)CS(=O)(=O)N2C)n1cc(C)c(=O)[nH]c1=O
base_monomers:
- T
LTP:
id: LTP
name: 4-amino-1-{2-deoxy-5-o-[(r)-hydroxy(phosphonooxy)phosphoryl]-beta-l-erythro-pentofuranosyl}pyrimidin-2(1h)-one
synonyms:
- '[(2S,3R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methyl
phosphono hydrogen phosphate'
- 4-amino-1-{2-deoxy-5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-beta-L-erythro-pentofuranosyl}pyrimidin-2(1H)-one
identifiers:
- ns: pdb-ccd
id: LTP
structure: O[C@H]1C[C@H](O[C@H]1CO[P@](=O)(OP(=O)(O)O)O)n1ccc(nc1=O)N
LWM:
id: LWM
name: '[(1r,2s,4r)-4-{[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl
dihydrogen phosphate'
synonyms:
- '[(1R,2S,4R)-4-{[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl
dihydrogen phosphate'
- '[(1R,2S,4R)-4-[(2-azanyl-5-formamido-6-oxidanylidene-1H-pyrimidin-4-yl)amino]-2-oxidanyl-cyclopentyl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: LWM
structure: O=CNc1c(N[C@@H]2C[C@H]([C@H](C2)O)COP(=O)([O-])[O-])nc([nH]c1=O)N
r_bond_atoms:
- molecule: Monomer
element: O
position: 15
r_displaced_atoms:
- molecule: Monomer
element: H
position: 15
M1G:
id: M1G
name: 3-(2-deoxy-beta-d-ribofuranosyl)-pyrido[5,6-a]-purine-10-one-5'-monophosphate
synonyms:
- 3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)pyrimido[1,2-a]purin-10(3H)-one
- G
- '[(2R,3S,5R)-3-hydroxy-5-(10-oxopyrimido[1,2-a]purin-3-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: M1G
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)([O-])[O-])n1cnc2c1nc1ncccn1c2=O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
MA7:
id: MA7
name: 1n-methyladenosine-5'-monophosphate
synonyms:
- '[(2R,3S,5R)-5-(6-amino-1-methyl-purin-1-ium-9-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- A
- 2'-deoxy-1-methyladenosine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: MA7
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1cnc2c1nc[n+](c2N)C
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
MBZ:
id: MBZ
name: 1-[2-deoxyribofuranosyl]-4-methyl-benzoimidazole-5'-monophosphate
synonyms:
- N
- 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-4-methyl-1H-benzimidazole
- '[(2R,3S,5R)-3-hydroxy-5-(4-methylbenzimidazol-1-yl)oxolan-2-yl]methyl dihydrogen
phosphate'
identifiers:
- ns: pdb-ccd
id: MBZ
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1cnc2c1cccc2C
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
MCY:
id: MCY
name: 5-methyl-2'-deoxycytidine
synonyms:
- C
- 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidin-2-one
- 2'-deoxy-5-methylcytidine
identifiers:
- ns: pdb-ccd
id: MCY
structure: OC[C@@H]1O[C@H](C[C@@H]1O)n1cc(C)c(nc1=O)N
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 11
r_displaced_atoms:
- molecule: Monomer
element: H
position: 11
MDJ:
id: MDJ
name: 4-amino-1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3-(hydroxymethyl)pyridin-2(1h)-one
synonyms:
- 4-amino-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3-(hydroxymethyl)pyridin-2(1H)-one
- '[(2R,3S,5R)-5-[4-azanyl-3-(hydroxymethyl)-2-oxo-pyridin-1-yl]-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: MDJ
structure: OCc1c(N)ccn(c1=O)[C@H]1C[C@H]([C@@H](O1)COP(=O)(O)O)O
r_bond_atoms:
- molecule: Monomer
element: O
position: 25
r_displaced_atoms:
- molecule: Monomer
element: H
position: 25
MDK:
id: MDK
name: 4-amino-1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3-methylpyridin-2(1h)-one
synonyms:
- '[(2R,3S,5R)-5-(4-azanyl-3-methyl-2-oxo-pyridin-1-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- 4-amino-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3-methylpyridin-2(1H)-one
identifiers:
- ns: pdb-ccd
id: MDK
structure: O[C@@H]1C[C@@H](O[C@H]1COP(=O)(O)O)n1ccc(c(c1=O)C)N
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
MDQ:
id: MDQ
name: 2'-deoxy-3-(oxidomethyl)cytidine 5'-(dihydrogen phosphate)
synonyms:
- '[6-azanyl-3-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2-oxo-pyrimidin-1-ium-1-yl]methanolate'
- 2'-deoxy-3-(oxidomethyl)cytidine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: MDQ
structure: '[O-]C[n+]1c(N)ccn(c1=O)[C@H]1C[C@@H]([C@@H](O1)COP(=O)(O)O)O'
r_bond_atoms:
- molecule: Monomer
element: O
position: 25
r_displaced_atoms:
- molecule: Monomer
element: H
position: 25
MDR:
id: MDR
name: 9-(2-deoxy-beta-d-ribofuranosyl)-6-methylpurine
synonyms:
- N
- (2R,3S,5R)-2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolan-3-ol
- 9-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-methyl-9H-purine
identifiers:
- ns: pdb-ccd
id: MDR
structure: OC[C@H]1O[C@H](C[C@H]1O)n1cnc2c1ncnc2C
MDU:
id: MDU
name: 3-(hydroxymethyl)thymidine 5'-(dihydrogen phosphate)
synonyms:
- '[(2R,3S,5R)-3-hydroxy-5-[3-(hydroxymethyl)-5-methyl-2,4-dioxo-pyrimidin-1-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
- 3-(hydroxymethyl)thymidine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: MDU
structure: OCn1c(=O)n(cc(c1=O)C)[C@H]1C[C@H]([C@@H](O1)COP(=O)(O)O)O
r_bond_atoms:
- molecule: Monomer
element: O
position: 26
r_displaced_atoms:
- molecule: Monomer
element: H
position: 26
MDV:
id: MDV
name: (7s,8s)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-7,8-dihydro-3h-imidazo[2,1-i]purine-7,8-diol
synonyms:
- '[(2R,3S,5R)-5-[(7S,8S)-7,8-dihydroxy-7,8-dihydroimidazo[2,1-f]purin-3-yl]-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- (7S,8S)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7,8-dihydro-3H-imidazo[2,1-i]purine-7,8-diol
identifiers:
- ns: pdb-ccd
id: MDV
structure: O[C@@H]1C[C@@H](O[C@H]1COP(=O)(O)O)n1cnc2c1ncn1c2=N[C@@H]([C@@H]1O)O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
ME6:
id: ME6
name: '[(2r,3s,5r)-5-(4-azanyl-3-methyl-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
synonyms:
- '[(2R,3S,5R)-5-(4-azanyl-3-methyl-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: ME6
structure: O[C@H]1C[C@H](O[C@H]1COP(=O)(O)O)n1ccc([n+](c1=O)C)N
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
MF7:
id: MF7
name: n-{2-amino-5-[formyl(methyl)amino]-6-hydroxypyrimidin-4-yl}-2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosylamine
synonyms:
- '[(2R,3S,5R)-5-[[2-azanyl-5-[methanoyl(methyl)amino]-6-oxidanyl-pyrimidin-4-yl]amino]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- N-{2-amino-5-[formyl(methyl)amino]-6-hydroxypyrimidin-4-yl}-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine
identifiers:
- ns: pdb-ccd
id: MF7
structure: O=CN(c1c(N[C@@H]2C[C@@H]([C@@H](O2)COP(=O)(O)O)O)nc(nc1O)N)C
MFO:
id: MFO
name: '[(2~{r},3~{s},5~{r})-5-[2-azanyl-8-[ethanoyl(naphthalen-2-yl)amino]-6-oxidanylidene-3~{h}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
synonyms:
- G
- '[(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(naphthalen-2-yl)amino]-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: MFO
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1c(nc2c1[nH]c(N)nc2=O)N(c1ccc2c(c1)cccc2)C(=O)C
base_monomers:
- G
MFT:
id: MFT
name: 3-methylthymidine 5'-(dihydrogen phosphate)
synonyms:
- 3-methylthymidine 5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-5-(3,5-dimethyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: MFT
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1cc(C)c(=O)n(c1=O)C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
MM7:
id: MM7
name: (1r)-1,4-anhydro-2-deoxy-1-(2-methoxy-4-methylphenyl)-5-o-phosphono-d-erythro-pentitol
synonyms:
- '[(2R,3S,5R)-5-(2-methoxy-4-methyl-phenyl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen
phosphate'
- (1R)-1,4-anhydro-2-deoxy-1-(2-methoxy-4-methylphenyl)-5-O-phosphono-D-erythro-pentitol
identifiers:
- ns: pdb-ccd
id: MM7
structure: COc1cc(C)ccc1[C@@H]1C[C@@H]([C@@H](O1)COP(=O)([O-])[O-])O
r_bond_atoms:
- molecule: Monomer
element: O
position: 24
l_bond_atoms:
- molecule: Monomer
element: P
position: 20
r_displaced_atoms:
- molecule: Monomer
element: H
position: 24
l_displaced_atoms:
- molecule: Monomer
element: O
position: 23
charge: -1
MMT:
id: MMT
name: 5'-o-(dimethylamino)-thymidine
synonyms:
- 5'-O-(dimethylamino)thymidine
- T
- 1-[(2R,4S,5R)-5-(dimethylaminooxymethyl)-4-hydroxy-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
identifiers:
- ns: pdb-ccd
id: MMT
structure: CN(OC[C@H]1O[C@@H](C[C@H]1O)n1cc(C)c(=O)[nH]c1=O)C
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 13
r_displaced_atoms:
- molecule: Monomer
element: H
position: 13
MRG:
id: MRG
name: n2-(3-mercaptopropyl)-2'-deoxyguanosine-5'-monophosphate
synonyms:
- 2'-deoxy-N-(3-sulfanylpropyl)guanosine 5'-(dihydrogen phosphate)
- G
- '[(2R,3S,5R)-3-hydroxy-5-[6-oxo-2-(3-sulfanylpropylamino)-1H-purin-9-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: MRG
structure: SCCCNc1[nH]c(=O)c2c(n1)n(cn2)[C@H]1C[C@@H]([C@H](O1)COP(=O)([O-])[O-])O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 31
l_bond_atoms:
- molecule: Monomer
element: P
position: 27
r_displaced_atoms:
- molecule: Monomer
element: H
position: 31
l_displaced_atoms:
- molecule: Monomer
element: O
position: 30
charge: -1
MTR:
id: MTR
name: (5-methyl-6-oxo-1,6-dihydro-pyridin-3-yl)-1,2-dideoxy-ribofuranose-5-monophosphate
synonyms:
- (1R)-1,4-anhydro-2-deoxy-1-(5-methyl-6-oxo-1,6-dihydropyridin-3-yl)-5-O-phosphono-D-erythro-pentitol
- '[(2R,3S,5R)-3-hydroxy-5-(5-methyl-6-oxo-1H-pyridin-3-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
- T
identifiers:
- ns: pdb-ccd
id: MTR
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])c1c[nH]c(=O)c(c1)C
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
N4S:
id: N4S
name: n-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2'-deoxycytidine 5'-(dihydrogen
phosphate)
synonyms:
- N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]-2'-deoxycytidine 5'-(dihydrogen
phosphate)
- '[(2R,3S,5R)-5-[4-[3-[4-(3-azanylpropylamino)butylamino]propylamino]-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: N4S
structure: NCCCNCCCCNCCCNc1ccn(c(=O)n1)[C@@H]1C[C@H]([C@@H](O1)COP(=O)(O)O)O
N5I:
id: N5I
name: 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-nitro-1h-indole
synonyms:
- N
- 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-nitro-1H-indole
- '[(2R,3S,5R)-3-hydroxy-5-(5-nitroindol-1-yl)oxolan-2-yl]methyl dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: N5I
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1ccc2c1ccc(c2)[N+](=O)[O-]
NCU:
id: NCU
name: '[(1r,5r,7r,8s)-7-(4-amino-5-methyl-2-oxopyrimidin-1(2h)-yl)-8-hydroxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl
dihydrogen phosphate'
synonyms:
- '[(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1(2H)-yl)-8-hydroxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl
dihydrogen phosphate'
- '[(1R,5R,7R,8S)-7-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-3-methyl-8-oxidanyl-2,6-dioxa-3-azabicyclo[3.2.1]octan-5-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: NCU
structure: CN1O[C@H]2[C@@H](O[C@](C1)([C@H]2O)COP(=O)([OH-])[O-])n1cc(C)c(nc1=O)N
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 13
l_bond_atoms:
- molecule: Monomer
element: P
position: 16
r_displaced_atoms:
- molecule: Monomer
element: H
position: 13
l_displaced_atoms:
- molecule: Monomer
element: O
position: 20
charge: -1
NCX:
id: NCX
name: 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-nitro-1h-indole-3-carboxamide
synonyms:
- N
- 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-nitro-1H-indole-3-carboxamide
- '[(2R,3S,5R)-5-(3-aminocarbonyl-5-nitro-indol-1-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: NCX
structure: O[C@@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1cc(c2c1ccc(c2)[N+](=O)[O-])C(=O)N
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 14
charge: -1
NDN:
id: NDN
name: 2'-deoxy-5-nitrouridine 5'-(dihydrogen phosphate)
synonyms:
- 2'-deoxy-5-nitrouridine 5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-3-hydroxy-5-(5-nitro-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
- U
identifiers:
- ns: pdb-ccd
id: NDN
structure: O[C@@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1cc([N+](=O)[O-])c(=O)[nH]c1=O
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
NMS:
id: NMS
name: 1-(o2-(2-methylamino-2-oxo-ethyl)-o5-hydroxyphosphinyl-beta-d-ribofuranosyl)thymine
synonyms:
- '[(2R,3R,4R,5R)-3-hydroxy-4-(2-methylamino-2-oxo-ethoxy)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
- 5-methyl-2'-O-[2-(methylamino)-2-oxoethyl]uridine 5'-(dihydrogen phosphate)
- T
identifiers:
- ns: pdb-ccd
id: NMS
structure: CNC(=O)CO[C@@H]1[C@H](O)[C@H](O[C@H]1n1cc(C)c(=O)[nH]c1=O)COP(=O)([O-])[O-]
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 11
l_bond_atoms:
- molecule: Monomer
element: P
position: 29
r_displaced_atoms:
- molecule: Monomer
element: H
position: 11
l_displaced_atoms:
- molecule: Monomer
element: O
position: 32
charge: -1
NMT:
id: NMT
name: 1-(o2-(methylcarbamoyl)-o5-hydroxyphosphinyl-beta-d-ribofuranosyl)thymine
synonyms:
- '[(2R,3R,4R,5R)-3-hydroxy-4-(hydroxy-methylamino-methoxy)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-O-[(S)-hydroxy(methylamino)methyl]-5-methyluridine 5'-(dihydrogen phosphate)
- T
identifiers:
- ns: pdb-ccd
id: NMT
structure: CN[C@H](O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cc(C)c(=O)[nH]c1=O)COP(=O)([O-])[O-])O
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 10
l_bond_atoms:
- molecule: Monomer
element: P
position: 28
r_displaced_atoms:
- molecule: Monomer
element: H
position: 10
l_displaced_atoms:
- molecule: Monomer
element: O
position: 30
charge: -1
NP3:
id: NP3
name: 1-[2-deoxy-ribofuranosyl]-1h-[3-nitro-pyrrol]-5'-phosphate
synonyms:
- N
- 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3-nitro-1H-pyrrole
- '[(2R,3S,5R)-3-hydroxy-5-(3-nitropyrrol-1-yl)oxolan-2-yl]methyl dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: NP3
structure: O[C@@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1ccc(c1)[N+](=O)[O-]
NR1:
id: NR1
name: (3r,4r)-3-hydroxy-4-[(phosphonooxy)methyl]pyrrolidinium
synonyms:
- (3R,4R)-3-hydroxy-4-[(phosphonooxy)methyl]pyrrolidinium
- '[(3R,4R)-4-oxidanylpyrrolidin-1-ium-3-yl]methyl dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: NR1
structure: O[C@@H]1C[NH2+]C[C@@H]1COP(=O)(O)O
NRI:
id: NRI
name: phosphoric acid mono-(4-hydroxy-pyrrolidin-3-ylmethyl) ester
synonyms:
- '[(3R,4R)-4-hydroxypyrrolidin-3-yl]methyl dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: NRI
structure: O[C@H]1CNC[C@H]1COP(=O)(O)O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
NTT:
id: NTT
name: '[(1r,5r,7r,8s)-8-hydroxy-3-methyl-7-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl
dihydrogen phosphate'
synonyms:
- '[(1R,5R,7R,8S)-3-methyl-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-2,6-dioxa-3-azabicyclo[3.2.1]octan-5-yl]methyl
dihydrogen phosphate'
- '[(1R,5R,7R,8S)-8-hydroxy-3-methyl-7-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: NTT
structure: CN1O[C@H]2[C@H](O[C@@](C1)([C@H]2O)COP(=O)([O-])[O-])n1cc(C)c(=O)[nH]c1=O
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 13
l_bond_atoms:
- molecule: Monomer
element: P
position: 16
r_displaced_atoms:
- molecule: Monomer
element: H
position: 13
l_displaced_atoms:
- molecule: Monomer
element: O
position: 19
charge: -1
NYM:
id: NYM
name: 3'-deoxy-3'-aminothymidine monophosphate
synonyms:
- N
- '[(2S,3S,5R)-3-amino-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
- 3'-amino-3'-deoxythymidine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: NYM
structure: N[C@H]1C[C@H](O[C@@H]1COP(=O)(O)O)n1cc(C)c(=O)[nH]c1=O
OGX:
id: OGX
name: 2'-deoxy-5'-o-{(s)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}-8-oxoguanosine
synonyms:
- 2'-deoxy-5'-O-{(S)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}-8-oxoguanosine
- '[(2R,3S,5R)-5-(2-azanyl-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-N-(2-sulfanylethyl)phosphonamidic
acid'
identifiers:
- ns: pdb-ccd
id: OGX
structure: SCCN[P@@](=O)(OC[C@@H]1O[C@H](C[C@H]1O)n1c(=O)[nH]c2c1nc(N)[nH]c2=O)[O-]
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 17
r_displaced_atoms:
- molecule: Monomer
element: H
position: 17
OHU:
id: OHU
name: 2'-deoxy-5-hydroxyuridine 5'-(dihydrogen phosphate)
synonyms:
- 2'-deoxy-5-hydroxyuridine 5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-3-oxidanyl-5-[5-oxidanyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: OHU
structure: O[C@@H]1C[C@@H](O[C@H]1COP(=O)([O-])[O-])n1cc(O)c(=O)[nH]c1=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
P:
id: P
name: 2'-deoxy-n1,n2-propano guanosine monophosphate
synonyms:
- '[(2R,3S,5R)-3-hydroxy-5-(10-oxo-5,6,7,8-tetrahydropyrimido[1,2-a]purin-3-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
- G
- 3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one
identifiers:
- ns: pdb-ccd
id: P
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)([O-])[O-])n1cnc2c1nc1NCCCn1c2=O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
P2U:
id: P2U
name: 2'-deoxy-pseudouridine-5'monophosphate
synonyms:
- (1R)-1,4-anhydro-2-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-erythro-pentitol
- '[(2R,3S,5R)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen
phosphate'
- U
identifiers:
- ns: pdb-ccd
id: P2U
structure: O[C@H]1C[C@@H](O[C@H]1COP(=O)([O-])[O-])c1c[nH]c(=O)[nH]c1=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
PBT:
id: PBT
name: '[3-hydroxy-5-(5-methyl-2,4-dioxotetrahydro-1(2h)-pyrimidinyl)tetrahydro-2-furanyl]methyl
dihydrogen phosphate'
synonyms:
- N
- 5'-thymidylic acid
- '[(2R,3S,5R)-3-hydroxy-5-[(5R)-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: PBT
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)(O)O)N1C[C@H](C)C(=O)NC1=O
PDU:
id: PDU
name: 5(1-propynyl)-2'-deoxyuridine-5-monophosphate
synonyms:
- '[(2R,3S,5R)-5-(2,4-dioxo-5-propyl-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- U
- 2'-deoxy-5-propyluridine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: PDU
structure: CCCc1cn([C@@H]2C[C@@H]([C@H](O2)COP(=O)([O-])[O-])O)c(=O)[nH]c1=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 21
l_bond_atoms:
- molecule: Monomer
element: P
position: 17
r_displaced_atoms:
- molecule: Monomer
element: H
position: 21
l_displaced_atoms:
- molecule: Monomer
element: O
position: 19
charge: -1
PGN:
id: PGN
name: 2'-deoxyguanosine-3',5'-diphosphate
synonyms:
- '[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl]
dihydrogen phosphate'
- G
- 2'-deoxyguanosine 3',5'-bis(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: PGN
structure: Nc1[nH]c(=O)c2c(n1)n(cn2)[C@@H]1C[C@@H]([C@H](O1)COP(=O)([O-])[O-])OP(=O)(O)O
base_monomers:
- G
l_bond_atoms:
- molecule: Monomer
element: P
position: 23
l_displaced_atoms:
- molecule: Monomer
element: O
position: 26
charge: -1
PPW:
id: PPW
name: 7-deaza-8-aza-2'-deoxyguanosine-5'-monophosphate
synonyms:
- G
- 6-amino-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
- '[(2R,3S,5R)-5-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: PPW
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)([O-])[O-])n1ncc2c1nc(N)[nH]c2=O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
PRN:
id: PRN
name: purine 2'-deoxyribo-5'-monophosphate
synonyms:
- 9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purine
- '[(2R,3S,5R)-3-hydroxy-5-purin-9-yl-oxolan-2-yl]methyl dihydrogen phosphate'
- A
identifiers:
- ns: pdb-ccd
id: PRN
structure: O[C@@H]1C[C@@H](O[C@H]1COP(=O)([O-])[O-])n1cnc2c1ncnc2
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
PST:
id: PST
name: thymidine-5'-thiophosphate
synonyms:
- 5'-O-thiophosphonothymidine
- 1-[(2R,4S,5R)-5-(dihydroxyphosphinothioyloxymethyl)-4-hydroxy-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
- T
identifiers:
- ns: pdb-ccd
id: PST
structure: O[C@H]1C[C@H](O[C@@H]1COP(=S)([O-])[O-])n1cc(C)c(=O)[nH]c1=O
base_monomers:
- T
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
PVX:
id: PVX
name: n-(2-amino-5-{formyl[(6as,8r,9r,9ar)-9-hydroxy-4-methoxy-1,11-dioxo-1,6a,8,9,9a,11-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl]amino}-6-oxo-1,6-dihydropyrimidin-4-yl)-2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosylamine
synonyms:
- N-(2-amino-5-{formyl[(6aS,8R,9R,9aR)-9-hydroxy-4-methoxy-1,11-dioxo-1,6a,8,9,9a,11-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl]amino}-6-oxo-1,6-dihydropyrimidin-4-yl)-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine
identifiers:
- ns: pdb-ccd
id: PVX
structure: O=CN(c1c(N[C@@H]2C[C@@H]([C@@H](O2)COP(=O)(O)O)O)nc([nH]c1=O)N)[C@H]1O[C@H]2[C@@H]([C@@H]1O)c1c(O2)cc(c2c1oc(=O)c1c2C=CC1=O)OC
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 21
r_displaced_atoms:
- molecule: Monomer
element: H
position: 21
PZG:
id: PZG
name: '[(2~{r},3~{s},4~{r},5~{r})-5-(2-azanyl-6-oxidanylidene-1~{h}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(3-methyl-1~{h}-pyrazol-4-yl)phosphinic
acid'
synonyms:
- '[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(3-methyl-1~{H}-pyrazol-4-yl)phosphinic
acid'
identifiers:
- ns: pdb-ccd
id: PZG
structure: O[C@H]1[C@@H](CO[P@](=O)(c2c[nH]nc2C)O)O[C@H]([C@@H]1O)n1cnc2c1nc(N)[nH]c2=O
base_monomers:
- G
QBT:
id: QBT
name: '[(2r,3s,5r)-3-hydroxy-5-[(5s)-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
synonyms:
- '[(2R,3S,5R)-3-hydroxy-5-[(5S)-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
- T
identifiers:
- ns: pdb-ccd
id: QBT
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)(O)O)N1C[C@H](C)C(=O)NC1=O
R:
id: R
name: 2'-deoxy-n6-(r)styrene oxide adenosine monophosphate
synonyms:
- 2'-deoxy-N-[(1R)-2-hydroxy-1-phenylethyl]adenosine 5'-(dihydrogen phosphate)
- A
- '[(2R,3S,5R)-3-hydroxy-5-[6-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]purin-9-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: R
structure: OC[C@@H](c1ccccc1)Nc1ncnc2c1ncn2[C@@H]1C[C@@H]([C@H](O1)COP(=O)([O-])[O-])O
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 35
l_bond_atoms:
- molecule: Monomer
element: P
position: 31
r_displaced_atoms:
- molecule: Monomer
element: H
position: 35
l_displaced_atoms:
- molecule: Monomer
element: O
position: 34
charge: -1
RBD:
id: RBD
name: (r,r)-n6,n6-(2,3-dihydroxy-1,4-butadiyl)-2'-deoxyadenosine-5'-monophosphate
synonyms:
- (3R,4R)-1-[9-[(2R,4S,5R)-4-oxidanyl-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]purin-6-yl]pyrrolidine-3,4-diol
- (3R,4R)-1-{9-[(2R,4S,5R)-4-hydroxy-5-{[(trihydroxy-lambda~5~-phosphanyl)oxy]methyl}tetrahydrofuran-2-yl]-9H-purin-6-yl}pyrrolidine-3,4-diol
(non-preferred name)
identifiers:
- ns: pdb-ccd
id: RBD
structure: O[C@@H]1C[C@H](O[C@H]1COP(O)(O)O)n1cnc2c1ncnc2N1C[C@@H]([C@H](C1)O)O
base_monomers:
- A
RCE:
id: RCE
name: 1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-beta-d-gulofuranosyl}pyrimidine-2,4(1h,3h)-dione
synonyms:
- '[(1R,3R,4R,6R,7S)-6-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-methyl-7-oxidanyl-2,5-dioxabicyclo[2.2.1]heptan-4-yl]methyl
dihydrogen phosphate'
- 1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-beta-D-gulofuranosyl}pyrimidine-2,4(1H,3H)-dione
identifiers:
- ns: pdb-ccd
id: RCE
structure: C[C@H]1O[C@H]2[C@H]([C@@]1(COP(=O)(O)O)O[C@H]2n1ccc(=O)[nH]c1=O)O
r_bond_atoms:
- molecule: Monomer
element: O
position: 28
r_displaced_atoms:
- molecule: Monomer
element: H
position: 28
RDG:
id: RDG
name: 2'-deoxy-n-(furan-2-ylmethyl)guanosine 5'-(dihydrogen phosphate)
synonyms:
- '[(2R,3S,5R)-5-[2-(furan-2-ylmethylamino)-6-oxidanylidene-1H-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-deoxy-N-(furan-2-ylmethyl)guanosine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: RDG
structure: O[C@H]1C[C@H](O[C@H]1COP(=O)(O)O)n1cnc2c1nc(NCc1ccco1)[nH]c2=O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
RMP:
id: RMP
name: 2'-deoxy-adenosine-5'-rp-monomethylphosphonate
synonyms:
- '[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-methyl-phosphinic
acid'
- 2'-deoxy-5'-O-[(S)-hydroxy(methyl)phosphoryl]adenosine
- A
identifiers:
- ns: pdb-ccd
id: RMP
structure: O[C@@H]1C[C@@H](O[C@@H]1CO[P@](=O)(C)[O-])n1cnc2c1ncnc2N
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
S4A:
id: S4A
name: 2'-deoxy-4'-thioadenosine 5'-(dihydrogen phosphate)
synonyms:
- '[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-thiolan-2-yl]methyl dihydrogen
phosphate'
- A
- 2'-deoxy-4'-thioadenosine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: S4A
structure: O[C@@H]1C[C@@H](S[C@@H]1COP(=O)(O)O)n1cnc2c1ncnc2N
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
S4G:
id: S4G
name: 2'-deoxy-4'-thioguanosine 5'-(dihydrogen phosphate)
synonyms:
- G
- '[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-thiolan-2-yl]methyl dihydrogen
phosphate'
- 2'-deoxy-4'-thioguanosine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: S4G
structure: O[C@H]1C[C@@H](S[C@H]1COP(=O)(O)O)n1cnc2c1nc(N)[nH]c2=O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
S6G:
id: S6G
name: 6-thio-2'-deoxyguanosine-5'-monophosphate
synonyms:
- '[(2R,3S,5R)-5-(2-amino-6-sulfanylidene-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- G
- 2-amino-9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1,9-dihydro-6H-purine-6-thione
identifiers:
- ns: pdb-ccd
id: S6G
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)([O-])[O-])n1cnc2c1nc(N)[nH]c2=S
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
SAY:
id: SAY
name: '[(2r,3s,5r)-3-hydroxy-5-(3-hydroxy-4-methanoyl-phenyl)oxolan-2-yl]methyl
dihydrogen phosphate'
synonyms:
- '[(2R,3S,5R)-3-hydroxy-5-(3-hydroxy-4-methanoyl-phenyl)oxolan-2-yl]methyl dihydrogen
phosphate'
identifiers:
- ns: pdb-ccd
id: SAY
structure: O=Cc1ccc(cc1O)[C@@H]1C[C@@H]([C@H](O1)COP(=O)(O)O)O
SC:
id: SC
name: 2-deoxy-cytidine-5'-thiophosphorate
synonyms:
- C
- 2'-deoxy-5'-O-thiophosphonocytidine
- 4-amino-1-[(2R,4S,5R)-5-(dihydroxyphosphinothioyloxymethyl)-4-hydroxy-oxolan-2-yl]pyrimidin-2-one
identifiers:
- ns: pdb-ccd
id: SC
structure: O[C@H]1C[C@@H](O[C@H]1COP(=S)([O-])[O-])n1ccc(nc1=O)N
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
SDE:
id: SDE
name: (s,s)-n6,n6-(2,3-dihydroxy-1,4-butadiyl)-2'-deoxyadenosine-5'-monophosphate
synonyms:
- (3S,4S)-1-{9-[(2R,4S,5R)-4-hydroxy-5-{[(trihydroxy-lambda~5~-phosphanyl)oxy]methyl}tetrahydrofuran-2-yl]-9H-purin-6-yl}pyrrolidine-3,4-diol
(non-preferred name)
- (3S,4S)-1-[9-[(2R,4S,5R)-4-oxidanyl-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]purin-6-yl]pyrrolidine-3,4-diol
identifiers:
- ns: pdb-ccd
id: SDE
structure: O[C@@H]1C[C@H](O[C@H]1COP(O)(O)O)n1cnc2c1ncnc2N1C[C@@H]([C@H](C1)O)O
base_monomers:
- A
SDG:
id: SDG
name: 2-amino-9-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-9h-purine-6-selenol
synonyms:
- '[(2R,3S,5R)-5-(2-amino-6-selanyl-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen
phosphate'
- G
- 2-amino-9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purine-6-selenol
identifiers:
- ns: pdb-ccd
id: SDG
structure: O[C@H]1C[C@@H](O[C@H]1COP(=O)(O)O)n1cnc2c1nc(N)nc2[SeH]
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
SDH:
id: SDH
name: (5s)-7-amino-1-[2-deoxy-5-o-(trihydroxy-lambda~5~-phosphanyl)-beta-d-erythro-pentofuranosyl]-1,3,6,8-tetraazaspiro[4.4]non-7-ene-2,4,9-trione
synonyms:
- (5S)-7-azanyl-1-[(2R,4S,5R)-4-oxidanyl-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-1,3,6,8-tetrazaspiro[4.4]non-7-ene-2,4,9-trione
- (5S)-7-amino-1-[2-deoxy-5-O-(trihydroxy-lambda~5~-phosphanyl)-beta-D-erythro-pentofuranosyl]-1,3,6,8-tetraazaspiro[4.4]non-7-ene-2,4,9-trione
identifiers:
- ns: pdb-ccd
id: SDH
structure: NC1=NC(=O)[C@@]2(N1)C(=O)NC(=O)N2[C@H]1O[C@H]([C@@H](C1)O)COP(O)(O)O
base_monomers:
- G
SMP:
id: SMP
name: 2'-deoxy-adenosine-5'-sp-monomethylphosphonate
synonyms:
- 2'-deoxy-5'-O-[(R)-hydroxy(methyl)phosphoryl]adenosine
- '[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-methyl-phosphinic
acid'
- A
identifiers:
- ns: pdb-ccd
id: SMP
structure: O[C@@H]1C[C@@H](O[C@@H]1CO[P@](=O)(C)[O-])n1cnc2c1ncnc2N
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
SOS:
id: SOS
name: '[(1r,2s,4r)-4-({2-amino-5-[benzyl(formyl)amino]-6-oxo-1,6-dihydropyrimidin-4-yl}amino)-2-hydroxycyclopentyl]methyl
dihydrogen phosphate'
synonyms:
- N
- '[(1R,2S,4R)-4-({2-amino-5-[benzyl(formyl)amino]-6-oxo-1,6-dihydropyrimidin-4-yl}amino)-2-hydroxycyclopentyl]methyl
dihydrogen phosphate'
- '[(1R,2S,4R)-4-[[2-amino-5-(methanoyl-(phenylmethyl)amino)-6-oxo-1H-pyrimidin-4-yl]amino]-2-hydroxy-cyclopentyl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: SOS
structure: O=CN(c1c(N[C@@H]2C[C@@H]([C@H](C2)O)COP(=O)([O-])[O-])nc([nH]c1=O)N)Cc1ccccc1
r_bond_atoms:
- molecule: Monomer
element: O
position: 15
l_bond_atoms:
- molecule: Monomer
element: P
position: 18
r_displaced_atoms:
- molecule: Monomer
element: H
position: 15
l_displaced_atoms:
- molecule: Monomer
element: O
position: 20
charge: -1
SPT:
id: SPT
name: 5'-thio-thymidine phosphonic acid
synonyms:
- '[(2S,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methylsulfanylphosphonic
acid'
- T
- 5'-S-phosphono-5'-thiothymidine
identifiers:
- ns: pdb-ccd
id: SPT
structure: O[C@H]1C[C@@H](O[C@@H]1CSP(=O)([O-])[O-])n1cc(C)c(=O)[nH]c1=O
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 14
charge: -1
T0T:
id: T0T
name: (1r)-1-{4-[(e)-2-(2-aminophenyl)ethenyl]phenyl}-1,4-anhydro-2-deoxy-5-o-phosphonato-d-erythro-pentitol
synonyms:
- '[(2R,3S,5R)-5-[4-[(E)-2-(2-aminophenyl)ethenyl]phenyl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- (1R)-1-{4-[(E)-2-(2-aminophenyl)ethenyl]phenyl}-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol
identifiers:
- ns: pdb-ccd
id: T0T
structure: O[C@@H]1C[C@@H](O[C@H]1COP(=O)(O)O)c1ccc(cc1)/C=C/c1ccccc1N
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
T2S:
id: T2S
name: thymidine-5'-dithiophosphorate
synonyms:
- 5'-O-[(dithiophosphono)]thymidine
- 1-[(2R,4S,5R)-4-hydroxy-5-[(hydroxy-sulfanyl-phosphinothioyl)oxymethyl]oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
- T
identifiers:
- ns: pdb-ccd
id: T2S
structure: O[C@H]1C[C@H](O[C@@H]1CO[P@](=S)(S)[O-])n1cc(C)c(=O)[nH]c1=O
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
T32:
id: T32
name: 6'-alpha-methyl carbocyclic thymidine 5'-monophosphate
synonyms:
- '[(1R,2S,3S,5S)-5-hydroxy-2-methyl-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]methyl
dihydrogen phosphate'
- '[(1R,2S,3S,5S)-5-hydroxy-2-methyl-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)cyclopentyl]methyl
dihydrogen phosphate'
- T
identifiers:
- ns: pdb-ccd
id: T32
structure: O[C@H]1C[C@H]([C@H]([C@H]1COP(=O)(O)O)C)n1cc(C)c(=O)[nH]c1=O
base_monomers:
- T
T3P:
id: T3P
name: thymidine-3'-phosphate
synonyms:
- 3'-thymidylic acid
- '[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-3-yl]
dihydrogen phosphate'
- T
identifiers:
- ns: pdb-ccd
id: T3P
structure: OC[C@H]1O[C@@H](C[C@@H]1OP(=O)([O-])[O-])n1cc(C)c(=O)[nH]c1=O
base_monomers:
- T
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
T48:
id: T48
name: 6'-alpha-hydroxy carbocyclic thymidine 5'-monophosphate
synonyms:
- '[(1R,2S,3S,5S)-2,5-dihydroxy-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclopentyl]methyl
dihydrogen phosphate'
- '[(1R,2S,3S,5S)-2,5-dihydroxy-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)cyclopentyl]methyl
dihydrogen phosphate'
- T
identifiers:
- ns: pdb-ccd
id: T48
structure: O[C@H]1C[C@H]([C@H]([C@H]1COP(=O)(O)O)O)n1cc(C)c(=O)[nH]c1=O
base_monomers:
- T
T49:
id: T49
name: s4'-2'deoxythymidine 5'-monophosphate
synonyms:
- 4'-thiothymidine 5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)thiolan-2-yl]methyl
dihydrogen phosphate'
- T
identifiers:
- ns: pdb-ccd
id: T49
structure: O[C@H]1C[C@H](S[C@H]1COP(=O)(O)O)n1cc(C)c(=O)[nH]c1=O
base_monomers:
- T
T4S:
id: T4S
name: 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-4-hydroseleno-5-methylpyrimidin-2(1h)-one
synonyms:
- 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methyl-4-selanylpyrimidin-2(1H)-one
- T
- '[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2-oxo-4-selanyl-pyrimidin-1-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: T4S
structure: O[C@H]1C[C@@H](O[C@H]1COP(=O)([O-])[O-])n1cc(C)c(nc1=O)[SeH]
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 14
charge: -1
T5O:
id: T5O
name: 2'-deoxy-5-methoxyuridine 5'-(dihydrogen phosphate)
synonyms:
- 2'-deoxy-5-methoxyuridine 5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-3-hydroxy-5-(5-methoxy-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
- U
identifiers:
- ns: pdb-ccd
id: T5O
structure: COc1cn([C@@H]2C[C@@H]([C@@H](O2)COP(=O)([O-])[O-])O)c(=O)[nH]c1=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 20
l_bond_atoms:
- molecule: Monomer
element: P
position: 16
r_displaced_atoms:
- molecule: Monomer
element: H
position: 20
l_displaced_atoms:
- molecule: Monomer
element: O
position: 18
charge: -1
T5S:
id: T5S
name: "\n2'-deoxy-5-(methylselanyl)uridine 5'-phosphate"
synonyms:
- '[(2R,3S,5R)-3-hydroxy-5-(5-methylselanyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-deoxy-5-(methylselanyl)uridine 5'-(dihydrogen phosphate)
- T
identifiers:
- ns: pdb-ccd
id: T5S
structure: C[Se]c1cn([C@H]2C[C@@H]([C@@H](O2)COP(=O)([O-])[O-])O)c(=O)[nH]c1=O
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 20
l_bond_atoms:
- molecule: Monomer
element: P
position: 16
r_displaced_atoms:
- molecule: Monomer
element: H
position: 20
l_displaced_atoms:
- molecule: Monomer
element: O
position: 18
charge: -1
T64:
id: T64
name: (6-4)photoproduct
synonyms:
- '[(2R,4S,5R,10S,11R,13R,18R,19S)-4,8,18-trihydroxy-18,24-dimethyl-8-oxido-15,17,22-trioxo-7,9,12,26-tetraoxa-1,14,16,21-tetraaza-8-phosphapentacyclo[18.2.2.1~2,5~.1~10,13~.0~14,19~]hexacosa-20,23-dien-11-yl]methyl
dihydrogen phosphate (non-preferred name)'
identifiers:
- ns: pdb-ccd
id: T64
structure: O[C@@H]1C[C@H]2O[C@H]1CO[P@](=O)(O)O[C@@H]1C[C@H](N3[C@H](c4c(cn2c(=O)n4)C)[C@@](C)(O)C(=O)NC3=O)O[C@H]1COP(=O)([O-])[O-]
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 45
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 47
charge: -1
TA3:
id: TA3
name: (4s,5r)-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-methyl-1,3-diazabicyclo[2.2.0]hexan-2-one
synonyms:
- '[(2R,3S,5R)-3-hydroxy-5-[(3R,4S)-3-methyl-6-oxo-1,5-diazabicyclo[2.2.0]hexan-5-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
- (4S,5R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methyl-1,3-diazabicyclo[2.2.0]hexan-2-one
- T
identifiers:
- ns: pdb-ccd
id: TA3
structure: O[C@@H]1C[C@H](O[C@@H]1COP(=O)(O)O)N1C(=O)N2[C@H]1[C@@H](C2)C
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
TAF:
id: TAF
name: 2'-deoxy-2'-fluoro-arabino-furanosyl thymine-5'-phosphate
synonyms:
- '[(2R,3R,4S,5R)-4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
- 1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
- T
identifiers:
- ns: pdb-ccd
id: TAF
structure: O[C@@H]1[C@@H](COP(=O)([O-])[O-])O[C@H]([C@@H]1F)n1cc(C)c(=O)[nH]c1=O
base_monomers:
- T
l_bond_atoms:
- molecule: Monomer
element: P
position: 8
l_displaced_atoms:
- molecule: Monomer
element: O
position: 11
charge: -1
TC1:
id: TC1
name: 3-(5-phospho-2-deoxy-beta-d-ribofuranosyl)-2-oxo-1,3-diaza-phenothiazine
synonyms:
- '[(2R,3S,5R)-3-hydroxy-5-(2-oxo-10H-pyrimido[5,4-b][1,4]benzothiazin-3-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
- 3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3H-pyrimido[5,4-b][1,4]benzothiazin-2(10H)-one
- C
identifiers:
- ns: pdb-ccd
id: TC1
structure: O[C@@H]1C[C@@H](O[C@H]1CO[P@@](=O)(O)[O-])n1cc2sc3ccccc3[nH]c2nc1=O
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
TCJ:
id: TCJ
name: '[(1~{s},2~{r},4~{r},6~{s},8~{r})-8-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl]
dihydrogen phosphate'
synonyms:
- C
- '[(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl]
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: TCJ
structure: O[C@]12C[C@H](O[C@@H]2[C@]2([C@@H](C1)C2)OP(=O)(O)O)n1cc(C)c(nc1=O)N
base_monomers:
- C
TCP:
id: TCP
name: 5'-methylthymidine
synonyms:
- 5'-O-methylthymidine
- T
- 1-[(2R,4S,5R)-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
identifiers:
- ns: pdb-ccd
id: TCP
structure: COC[C@H]1O[C@@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 12
TCY:
id: TCY
name: (2r,3as,4ar,5ar,5bs)-2-(6-amino-9h-purin-9-yl)-3a-hydroxyhexahydrocyclopropa[4,5]cyclopenta[1,2-b]furan-5a(4h)-yl
dihydrogen phosphate
synonyms:
- A
- (2R,3aS,4aR,5aR,5bS)-2-(6-amino-9H-purin-9-yl)-3a-hydroxyhexahydrocyclopropa[4,5]cyclopenta[1,2-b]furan-5a(4H)-yl
dihydrogen phosphate
identifiers:
- ns: pdb-ccd
id: TCY
structure: Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2[C@](C1)(O)C[C@@H]1[C@@]2(C1)OP(=O)(O)O
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 18
r_displaced_atoms:
- molecule: Monomer
element: H
position: 18
TDY:
id: TDY
name: 5-(methylamino)thymidine 5'-(dihydrogen phosphate)
synonyms:
- '[(2R,3S,5R)-3-hydroxy-5-[(5R)-5-methyl-5-methylamino-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
- T
- 5-(methylamino)thymidine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: TDY
structure: CN[C@]1(C)CN([C@@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)C(=O)NC1=O
base_monomers:
- T
TED:
id: TED
name: 5-[(1e)-14-carboxy-10,13-bis(carboxymethyl)-3,8-dioxo-4,7,10,13-tetraazatetradec-1-en-1-yl]-2'-deoxyuridine
5'-(dihydrogen phosphate)
synonyms:
- 2-[carboxymethyl-[2-[carboxymethyl-[2-[2-[[(E)-3-[1-[(2R,4S,5R)-4-hydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2,4-dioxo-pyrimidin-5-yl]prop-2-enoyl]amino]ethylamino]-2-oxo-ethyl]amino]ethyl]amino]ethanoic
acid
- 5-[(13E)-1-carboxy-2,5-bis(carboxymethyl)-7,12-dioxo-2,5,8,11-tetraazatetradec-13-en-14-yl]-2'-deoxyuridine
5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: TED
structure: O=C(CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O)NCCNC(=O)/C=C/c1cn([C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])[O-])O)c(=O)[nH]c1=O
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 45
l_bond_atoms:
- molecule: Monomer
element: P
position: 41
r_displaced_atoms:
- molecule: Monomer
element: H
position: 45
l_displaced_atoms:
- molecule: Monomer
element: O
position: 43
charge: -1
TFF:
id: TFF
name: 5'-o-[(r)-{[(r)-[difluoro(phosphono)methyl](hydroxy)phosphoryl](difluoro)methyl}(hydroxy)phosphoryl]thymidine
synonyms:
- '[[[difluoro-[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]methyl]-hydroxy-phosphoryl]-difluoro-methyl]phosphonic
acid'
identifiers:
- ns: pdb-ccd
id: TFF
structure: O[C@@H]1C[C@@H](O[C@H]1CO[P@@](=O)(C([P@](=O)(C(P(=O)(O)O)(F)F)O)(F)F)O)n1cc(C)c(=O)[nH]c1=O
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
TFO:
id: TFO
name: '[2-(6-amino-9h-purin-9-yl)-1-methylethoxy]methylphosphonic acid'
synonyms:
- '[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid'
- '{[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl}phosphonic acid'
- A
identifiers:
- ns: pdb-ccd
id: TFO
structure: C[C@@H](Cn1cnc2c1ncnc2N)OCP(=O)([O-])[O-]
base_monomers:
- A
l_bond_atoms:
- molecule: Monomer
element: P
position: 17
l_displaced_atoms:
- molecule: Monomer
element: O
position: 20
charge: -1
TFT:
id: TFT
name: (l)-alpha-threofuranosyl-thymine-3'-monophosphate
synonyms:
- (3S,4R,5R)-4-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl
dihydrogen phosphate
- '[(3S,4R,5R)-4-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-3-yl] dihydrogen
phosphate'
- T
identifiers:
- ns: pdb-ccd
id: TFT
structure: O[C@@H]1[C@@H](CO[C@H]1n1cc(C)c(=O)[nH]c1=O)OP(=O)([O-])[O-]
base_monomers:
- T
l_bond_atoms:
- molecule: Monomer
element: P
position: 21
l_displaced_atoms:
- molecule: Monomer
element: O
position: 24
charge: -1
TGP:
id: TGP
name: 5'-thio-2'-deoxy-guanosine phosphonic acid
synonyms:
- G
- '[(2S,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methylsulfanylphosphonic
acid'
- 2'-deoxy-5'-S-phosphono-5'-thioguanosine
identifiers:
- ns: pdb-ccd
id: TGP
structure: O[C@H]1C[C@@H](O[C@@H]1CSP(=O)([O-])[O-])n1cnc2c1nc(N)[nH]c2=O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 14
charge: -1
THM:
id: THM
name: thymidine
synonyms:
- 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
- thymidine
identifiers:
- ns: pdb-ccd
id: THM
structure: OC[C@H]1O[C@@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 11
r_displaced_atoms:
- molecule: Monomer
element: H
position: 11
THP:
id: THP
name: thymidine-3',5'-diphosphate
synonyms:
- '[(2R,3S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-3-phosphonooxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- thymidine 3',5'-bis(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: THP
structure: O=c1[nH]c(=O)n(cc1C)[C@@H]1C[C@@H]([C@H](O1)COP(=O)(O)O)OP(=O)(O)O
THX:
id: THX
name: phosphonic acid 6-({6-[6-(6-carbamoyl-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carbonyl)-3,6,7,8-tetrahydro-3,6-diaza-as-indocene-2-carbonyl]-3,6,7,8-tetrahydro-3,6-diaza-as-indacene-2-carbonl}-amino)-hexyl
ester 5-(5-methyl-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl
ester
synonyms:
- N
- 6-[[3-[[3-[(3-aminocarbonyl-2,6-dihydro-1H-pyrrolo[4,5-e]indol-7-yl)carbonyl]-2,6-dihydro-1H-pyrrolo[4,5-e]indol-7-yl]carbonyl]-2,6-dihydro-1H-pyrrolo[4,5-e]indol-7-yl]carbonylamino]hexyl
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl
hydrogen phosphate
- 5'-O-[(S)-{[6-({[6-({6-[(6-carbamoyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)carbonyl]-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl}carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl]carbonyl}amino)hexyl]oxy}(hydroxy)phosphoryl]thymidine
identifiers:
- ns: pdb-ccd
id: THX
structure: O[C@H]1C[C@H](O[C@@H]1CO[P@@](=O)(OCCCCCCNC(=O)c1cc2c([nH]1)ccc1c2CCN1C(=O)c1cc2c([nH]1)ccc1c2CCN1C(=O)c1cc2c([nH]1)ccc1c2CCN1C(=O)N)O)n1cc(C)c(=O)[nH]c1=O
TLC:
id: TLC
name: 2-o,3-ethdiyl-arabinofuranosyl-thymine-5'-monophosphate
synonyms:
- '[(3aR,4R,6R,6aS)-3a-hydroxy-6-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)hexahydrofuro[3,4-b]furan-4-yl]methyl
dihydrogen phosphate'
- '[(3aR,4R,6R,6aS)-3a-hydroxy-6-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-3,4,6,6a-tetrahydro-2H-furo[4,3-b]furan-4-yl]methyl
dihydrogen phosphate'
- T
identifiers:
- ns: pdb-ccd
id: TLC
structure: O=c1[nH]c(=O)n(cc1C)[C@@H]1O[C@@H]([C@]2([C@@H]1OCC2)O)COP(=O)([O-])[O-]
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 22
l_bond_atoms:
- molecule: Monomer
element: P
position: 25
r_displaced_atoms:
- molecule: Monomer
element: H
position: 22
l_displaced_atoms:
- molecule: Monomer
element: O
position: 28
charge: -1
TP1:
id: TP1
name: 2-(methylamino)-ethylglycine-carbonylmethylene-thymine
synonyms:
- N-[2-(methylamino)ethyl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
- T
- 2-[2-methylaminoethyl-[2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)ethanoyl]amino]ethanoic
acid
identifiers:
- ns: pdb-ccd
id: TP1
structure: CNCCN(C(=O)Cn1cc(C)c(=O)[nH]c1=O)CC(=O)O
base_monomers:
- T
TPC:
id: TPC
name: 5'-thio-2'-deoxy-cytosine phosphonic acid
synonyms:
- '[(2S,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methylsulfanylphosphonic
acid'
- C
- 2'-deoxy-5'-S-phosphono-5'-thiocytidine
identifiers:
- ns: pdb-ccd
id: TPC
structure: O[C@H]1C[C@@H](O[C@@H]1CSP(=O)(O)O)n1ccc(nc1=O)N
base_monomers:
- C
TSP:
id: TSP
name: 3'-thio-thymidine-5'-phosphate
synonyms:
- '[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-sulfanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- T
- 3'-thiothymidine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: TSP
structure: S[C@H]1C[C@H](O[C@@H]1COP(=O)([O-])[O-])n1cc(C)c(=O)[nH]c1=O
base_monomers:
- T
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
TT:
id: TT
name: '[(1r,3r,4s,9r,10s,12r,15as,15br,18br,18cs)-10-hydroxy-15a,15b-dimethyl-13,15,16,18-tetraoxohexadecahydro-8h-9,12-epoxy-1,4-methano-2,5,7-trioxa-12a,14,17,18a-tetraazacyclohexadeca[1,2,3,4-def]biphenylen-3-yl]methyl
dihydrogen phosphate'
synonyms:
- N
- '[(1R,3R,4S,9R,10S,12R,15aS,15bR,18bR,18cS)-10-hydroxy-15a,15b-dimethyl-13,15,16,18-tetraoxohexadecahydro-8H-9,12-epoxy-1,4-methano-2,5,7-trioxa-12a,14,17,18a-tetraazacyclohexadeca[1,2,3,4-def]biphenylen-3-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: TT
structure: O[C@H]1C[C@@H]2O[C@@H]1COCO[C@H]1C[C@@H](N3[C@@H]4[C@H]5N2C(=O)NC(=O)[C@]5([C@@]4(C)C(=O)NC3=O)C)O[C@@H]1COP(=O)(O)O
TTD:
id: TTD
name: cis-syn cyclobutane thymine dimer
synonyms:
- '[(1R,3R,4S,6S,9R,10S,12R,15aS,15bR,18bR,18cS)-6,10-dihydroxy-15a,15b-dimethyl-6-oxido-13,15,16,18-tetraoxohexadecahydro-8H-9,12-epoxy-1,4-methano-2,5,7-trioxa-12a,14,17,18a-tetraaza-6-phosphacyclohexadeca[1,2,3,4-def]biphenylen-3-yl]methyl
dihydrogen phosphate'
- T
identifiers:
- ns: pdb-ccd
id: TTD
structure: O[C@H]1C[C@@H]2O[C@@H]1CO[P@](=O)(O)O[C@H]1C[C@@H](N3[C@@H]4[C@H]5N2C(=O)NC(=O)[C@]5([C@@]4(C)C(=O)NC3=O)C)O[C@@H]1COP(=O)([O-])[O-]
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 46
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 49
charge: -1
TTI:
id: TTI
name: 2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate)
synonyms:
- 2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-5-(2,4-dioxo-5-tellanylidene-1,3-diazinan-1-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- U
identifiers:
- ns: pdb-ccd
id: TTI
structure: O[C@H]1C[C@H](O[C@H]1COP(=O)(O)O)N1CC(=[TeH])C(=O)NC1=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
TTM:
id: TTM
name: n3-ethyl-thymidine-5'-monophosphate
synonyms:
- '[(2R,3S,5R)-5-(3-ethyl-5-methyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- 3-ethylthymidine 5'-(dihydrogen phosphate)
- T
identifiers:
- ns: pdb-ccd
id: TTM
structure: CCn1c(=O)n(cc(c1=O)C)[C@H]1C[C@H]([C@H](O1)COP(=O)([O-])[O-])O
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 26
l_bond_atoms:
- molecule: Monomer
element: P
position: 22
r_displaced_atoms:
- molecule: Monomer
element: H
position: 26
l_displaced_atoms:
- molecule: Monomer
element: O
position: 25
charge: -1
TX2:
id: TX2
name: 5'-o-{(r)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine
synonyms:
- 5'-O-{(R)-hydroxy[(2-sulfanylethyl)amino]phosphoryl}thymidine
- '[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methoxy-N-(2-sulfanylethyl)phosphonamidic
acid'
identifiers:
- ns: pdb-ccd
id: TX2
structure: '[O-][P@@](=O)(OC[C@@H]1O[C@H](C[C@H]1O)n1cc(C)c(=O)[nH]c1=O)NCCS'
r_bond_atoms:
- molecule: Monomer
element: O
position: 14
r_displaced_atoms:
- molecule: Monomer
element: H
position: 14
U33:
id: U33
name: 5-bromo-2'-deoxy uridine
synonyms:
- 5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
- U
- 5-bromo-2'-deoxyuridine
identifiers:
- ns: pdb-ccd
id: U33
structure: OC[C@@H]1O[C@H](C[C@@H]1O)n1cc(Br)c(=O)[nH]c1=O
UBI:
id: UBI
name: 2'-deoxy-5-[(2-methylpropyl)carbamoyl]uridine 5'-(dihydrogen phosphate)
synonyms:
- 2'-deoxy-5-[(2-methylpropyl)carbamoyl]uridine 5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-5-[5-(2-methylpropylcarbamoyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: UBI
structure: CC(CNC(=O)c1cn([C@H]2C[C@H]([C@H](O2)COP(=O)([O-])[O-])O)c(=O)[nH]c1=O)C
r_bond_atoms:
- molecule: Monomer
element: O
position: 24
l_bond_atoms:
- molecule: Monomer
element: P
position: 20
r_displaced_atoms:
- molecule: Monomer
element: H
position: 24
l_displaced_atoms:
- molecule: Monomer
element: O
position: 23
charge: -1
UCL:
id: UCL
name: 5-chloro-2'-deoxyuridine 5'-(dihydrogen phosphate)
synonyms:
- 5-chloro-2'-deoxyuridine 5'-(dihydrogen phosphate)
- U
- '[(2R,3S,5R)-5-(5-chloro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: UCL
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)(O)O)n1cc(Cl)c(=O)[nH]c1=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
UF2:
id: UF2
name: 1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione
synonyms:
- '[(2R,3R,4S,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- 1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione
identifiers:
- ns: pdb-ccd
id: UF2
structure: O[C@H]1[C@@H](COP(=O)(O)O)O[C@@H]([C@H]1F)n1ccc(=O)[nH]c1=O
UFP:
id: UFP
name: 5-fluoro-2'-deoxyuridine-5'-monophosphate
synonyms:
- N
- '[(2R,3S,5R)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-deoxy-5-fluorouridine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: UFP
structure: O[C@H]1C[C@@H](O[C@H]1COP(=O)(O)O)n1cc(F)c(=O)[nH]c1=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
UFR:
id: UFR
name: 2'-deoxy-5-formyluridine 5'-(dihydrogen phosphate)
synonyms:
- '[(2R,3S,5R)-3-hydroxy-5-(5-methanoyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-deoxy-5-formyluridine 5'-(dihydrogen phosphate)
- U
identifiers:
- ns: pdb-ccd
id: UFR
structure: O=Cc1cn([C@@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)c(=O)[nH]c1=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 20
r_displaced_atoms:
- molecule: Monomer
element: H
position: 20
UFT:
id: UFT
name: 2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate)
synonyms:
- '[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate)
- U
identifiers:
- ns: pdb-ccd
id: UFT
structure: O[C@@H]1[C@H](COP(=O)([O-])[O-])O[C@H]([C@H]1F)n1ccc(=O)[nH]c1=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 8
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 10
charge: -1
UMS:
id: UMS
name: 2'-methylselenyl-2'-deoxyuridine-5'-phosphate
synonyms:
- 2'-Se-methyl-2'-selenouridine 5'-(dihydrogen phosphate)
- '[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methylselanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- U
identifiers:
- ns: pdb-ccd
id: UMS
structure: C[Se][C@@H]1[C@H](O)[C@H](O[C@@H]1n1ccc(=O)[nH]c1=O)COP(=O)([O-])[O-]
r_bond_atoms:
- molecule: Monomer
element: O
position: 7
l_bond_atoms:
- molecule: Monomer
element: P
position: 24
r_displaced_atoms:
- molecule: Monomer
element: H
position: 7
l_displaced_atoms:
- molecule: Monomer
element: O
position: 26
charge: -1
UMX:
id: UMX
name: '[(1r,3r,4r,5s,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl
dihydrogen phosphate'
synonyms:
- '[(1R,3R,4R,5S,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl
dihydrogen phosphate'
- '[(1R,2S,4R,6R,7S)-6-(2,4-dioxopyrimidin-1-yl)-7-hydroxy-2-methyl-5-oxabicyclo[2.2.1]heptan-4-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: UMX
structure: C[C@H]1C[C@@]2([C@@H]([C@@H]1[C@@H](O2)n1ccc(=O)[nH]c1=O)O)COP(=O)([O-])[O-]
r_bond_atoms:
- molecule: Monomer
element: O
position: 22
l_bond_atoms:
- molecule: Monomer
element: P
position: 25
r_displaced_atoms:
- molecule: Monomer
element: H
position: 22
l_displaced_atoms:
- molecule: Monomer
element: O
position: 28
charge: -1
UPE:
id: UPE
name: 2'-deoxy-5-[(2-phenylethyl)carbamoyl]uridine 5'-(dihydrogen phosphate)
synonyms:
- '[(2R,3S,5R)-5-[2,4-bis(oxidanylidene)-5-(2-phenylethylcarbamoyl)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-deoxy-5-[(2-phenylethyl)carbamoyl]uridine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: UPE
structure: O[C@@H]1C[C@@H](O[C@H]1COP(=O)([O-])[O-])n1cc(C(=O)NCCc2ccccc2)c(=O)[nH]c1=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 14
charge: -1
UPS:
id: UPS
name: 2'-deoxy-5'-o-thiophosphonouridine
synonyms:
- 2'-deoxy-5'-O-thiophosphonouridine
- 1-[(2R,4S,5R)-5-(dihydroxyphosphinothioyloxymethyl)-4-hydroxy-oxolan-2-yl]pyrimidine-2,4-dione
identifiers:
- ns: pdb-ccd
id: UPS
structure: O[C@@H]1C[C@H](O[C@H]1COP(=S)([O-])[O-])n1ccc(=O)[nH]c1=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 14
charge: -1
URT:
id: URT
name: ({[(2r,5r)-5-(6-amino-9h-purin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxy}methyl)phosphonic
acid
synonyms:
- '[(2R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethylphosphonic
acid'
identifiers:
- ns: pdb-ccd
id: URT
structure: FC1=C[C@@H](O[C@@H]1n1cnc2c1ncnc2N)OCP(=O)(O)O
URX:
id: URX
name: '[(1r,3r,4r,5r,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl
dihydrogen phosphate'
synonyms:
- '[(1R,2R,4R,6R,7S)-6-(2,4-dioxopyrimidin-1-yl)-7-hydroxy-2-methyl-5-oxabicyclo[2.2.1]heptan-4-yl]methyl
dihydrogen phosphate'
- '[(1R,3R,4R,5R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: URX
structure: C[C@@H]1C[C@@]2([C@H]([C@H]1[C@H](O2)n1ccc(=O)[nH]c1=O)O)COP(=O)([O-])[O-]
r_bond_atoms:
- molecule: Monomer
element: O
position: 22
l_bond_atoms:
- molecule: Monomer
element: P
position: 25
r_displaced_atoms:
- molecule: Monomer
element: H
position: 22
l_displaced_atoms:
- molecule: Monomer
element: O
position: 27
charge: -1
US1:
id: US1
name: 2'-deoxy-3'-thiouridine 5'-(dihydrogen phosphate)
synonyms:
- '[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-sulfanyl-oxolan-2-yl]methyl dihydrogen
phosphate'
- 2'-deoxy-3'-thiouridine 5'-(dihydrogen phosphate)
- U
identifiers:
- ns: pdb-ccd
id: US1
structure: S[C@@H]1C[C@H](O[C@@H]1COP(=O)(O)O)n1ccc(=O)[nH]c1=O
US2:
id: US2
name: 2'-deoxy-5-(methylsulfanyl)uridine 5'-(dihydrogen phosphate)
synonyms:
- 2'-deoxy-5-(methylsulfanyl)uridine 5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-3-hydroxy-5-(5-methylsulfanyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
- U
identifiers:
- ns: pdb-ccd
id: US2
structure: CSc1cn([C@@H]2C[C@H]([C@H](O2)COP(=O)(O)O)O)c(=O)[nH]c1=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 20
r_displaced_atoms:
- molecule: Monomer
element: H
position: 20
US3:
id: US3
name: 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-5-methyl-2-selanylpyrimidin-4(1h)-one
synonyms:
- '[(2R,3S,5R)-3-hydroxy-5-(5-methyl-4-oxo-2-selanyl-pyrimidin-1-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
- 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methyl-2-selanylpyrimidin-4(1H)-one
- T
identifiers:
- ns: pdb-ccd
id: US3
structure: O[C@@H]1C[C@@H](O[C@H]1COP(=O)([O-])[O-])n1cc(C)c(=O)nc1[SeH]
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
US4:
id: US4
name: '[(2r,3s,5r)-3-({[(2r,3s,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methoxy}methoxy)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)tetrahydrofuran-2-yl]methyl
dihydrogen phosphate'
synonyms:
- '[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxymethoxy]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
- '[(2R,3S,5R)-3-({[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methoxy}methoxy)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl
dihydrogen phosphate (non-preferred name)'
identifiers:
- ns: pdb-ccd
id: US4
structure: O[C@@H]1C[C@H](O[C@@H]1COCO[C@@H]1C[C@H](O[C@@H]1COP(=O)(O)O)n1cc(C)c(=O)[nH]c1=O)n1cnc2c1ncnc2N
USM:
id: USM
name: 2'-s-methyl-2'-thiouridine 5'-(dihydrogen phosphate)
synonyms:
- 2'-S-methyl-2'-thiouridine 5'-(dihydrogen phosphate)
- '[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methylsulfanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- U
identifiers:
- ns: pdb-ccd
id: USM
structure: CS[C@H]1[C@H](O)[C@@H](O[C@H]1n1ccc(=O)[nH]c1=O)COP(=O)([O-])[O-]
r_bond_atoms:
- molecule: Monomer
element: O
position: 7
l_bond_atoms:
- molecule: Monomer
element: P
position: 24
r_displaced_atoms:
- molecule: Monomer
element: H
position: 7
l_displaced_atoms:
- molecule: Monomer
element: O
position: 27
charge: -1
UVX:
id: UVX
name: '[(1r,3r,4r,7s)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-7-hydroxy-5-methylidene-2-oxabicyclo[2.2.1]hept-1-yl]methyl
dihydrogen phosphate'
synonyms:
- '[(1R,3R,4R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methylidene-2-oxabicyclo[2.2.1]hept-1-yl]methyl
dihydrogen phosphate'
- '[(1R,4R,6R,7S)-6-(2,4-dioxopyrimidin-1-yl)-7-hydroxy-2-methylidene-5-oxabicyclo[2.2.1]heptan-4-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: UVX
structure: C=C1C[C@@]2([C@H]([C@H]1[C@H](O2)n1ccc(=O)[nH]c1=O)O)COP(=O)([O-])[O-]
r_bond_atoms:
- molecule: Monomer
element: O
position: 21
l_bond_atoms:
- molecule: Monomer
element: P
position: 24
r_displaced_atoms:
- molecule: Monomer
element: H
position: 21
l_displaced_atoms:
- molecule: Monomer
element: O
position: 26
charge: -1
VET:
id: VET
name: '[(1r,2s,4r)-2-hydroxy-4-[(5r)-5-hydroxy-5-methyl-2,4-dioxo-imidazolidin-1-yl]cyclopentyl]methyl
dihydrogen phosphate'
synonyms:
- '[(1R,2S,4R)-2-hydroxy-4-[(5R)-5-hydroxy-5-methyl-2,4-dioxo-imidazolidin-1-yl]cyclopentyl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: VET
structure: O[C@H]1C[C@@H](C[C@H]1COP(=O)(O)O)N1C(=O)NC(=O)[C@]1(C)O
X4A:
id: X4A
name: '[(2r,3s,5s)-2,3,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate'
synonyms:
- N
- '[(2R,3S,5S)-2,3,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate
(non-preferred name)'
- '[(2R,3S,5S)-2,3,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: X4A
structure: O[C@@H]1C[C@@H](O[C@]1(O)COP(=O)([O-])[O-])O
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 14
charge: -1
XAD:
id: XAD
name: 9-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)-9h-purin-6-amine
synonyms:
- '[(2R,3S,6R)-6-(6-aminopurin-9-yl)-3-hydroxy-oxan-2-yl]methyl dihydrogen phosphate'
- 9-(2,3-dideoxy-6-O-phosphono-beta-D-erythro-hexopyranosyl)-9H-purin-6-amine
- A
identifiers:
- ns: pdb-ccd
id: XAD
structure: O[C@H]1CC[C@@H](O[C@H]1COP(=O)([O-])[O-])n1cnc2c1ncnc2N
base_monomers:
- A
l_bond_atoms:
- molecule: Monomer
element: P
position: 13
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
XAE:
id: XAE
name: 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3h-imidazo[4,5-g]quinazolin-8-amine
synonyms:
- N
- 3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3H-imidazo[4,5-g]quinazolin-8-amine
- '[(2R,3S,5R)-5-(8-aminopyrimido[5,6-f]benzimidazol-3-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: XAE
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)(O)O)n1cnc2c1cc1ncnc(c1c2)N
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
XAL:
id: XAL
name: '[(1s,4r,6r)-6-hydroxy-4-(adenin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen
phosphate'
synonyms:
- '[(1S,4R,6R)-4-(6-amino-9H-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen
phosphate'
- '[(1S,4R,6R)-4-(6-aminopurin-9-yl)-6-hydroxy-1-cyclohex-2-enyl]methyl dihydrogen
phosphate'
- A
identifiers:
- ns: pdb-ccd
id: XAL
structure: O[C@H]1C[C@H](C=C[C@@H]1COP(=O)([O-])[O-])n1cnc2c1ncnc2N
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 13
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 16
charge: -1
XAR:
id: XAR
name: '[(1r,4s,6s)-4-(6-amino-9h-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl
dihydrogen phosphate'
synonyms:
- N
- '[(1R,4S,6S)-4-(6-amino-9H-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl dihydrogen
phosphate'
- '[(1R,4S,6S)-4-(6-aminopurin-9-yl)-6-hydroxy-1-cyclohex-2-enyl]methyl dihydrogen
phosphate'
identifiers:
- ns: pdb-ccd
id: XAR
structure: O[C@H]1C[C@@H](C=C[C@@H]1COP(=O)(O)O)n1cnc2c1ncnc2N
XCL:
id: XCL
name: '[(1s,4r,6r)-6-hydroxy-4-(cytosin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen
phosphate'
synonyms:
- '[(1S,4R,6R)-4-(4-amino-2-oxopyrimidin-1(2H)-yl)-6-hydroxycyclohex-2-en-1-yl]methyl
dihydrogen phosphate'
- C
- '[(1S,4R,6R)-4-(4-amino-2-oxo-pyrimidin-1-yl)-6-hydroxy-1-cyclohex-2-enyl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: XCL
structure: O[C@H]1C[C@H](C=C[C@@H]1COP(=O)([O-])[O-])n1ccc(nc1=O)N
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 13
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 16
charge: -1
XCR:
id: XCR
name: '[(1r,4s,6s)-4-(4-amino-2-oxopyrimidin-1(2h)-yl)-6-hydroxycyclohex-2-en-1-yl]methyl
dihydrogen phosphate'
synonyms:
- C
- '[(1R,4S,6S)-4-(4-azanyl-2-oxo-pyrimidin-1-yl)-6-hydroxy-cyclohex-2-en-1-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: XCR
structure: O[C@H]1C[C@H](C=C[C@H]1COP(=O)([O-])[O-])n1ccc(nc1=O)N
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 13
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
XCS:
id: XCS
name: (1r)-1-(4-amino-6-methyl-2-oxo-1,2-dihydroquinazolin-8-yl)-1,4-anhydro-2-deoxy-5-o-phosphono-d-erythro-pentitol
synonyms:
- N
- '[(2R,3S,5R)-5-(4-amino-6-methyl-2-oxo-1H-quinazolin-8-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- (1R)-1-(4-amino-6-methyl-2-oxo-1,2-dihydroquinazolin-8-yl)-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol
identifiers:
- ns: pdb-ccd
id: XCS
structure: O[C@@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)c1cc(C)cc2c1[nH]c(=O)nc2N
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
XCT:
id: XCT
name: 4-amino-1-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)pyrimidin-2(1h)-one
synonyms:
- '[(2R,3S,6R)-6-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxan-2-yl]methyl dihydrogen
phosphate'
- 4-amino-1-(2,3-dideoxy-6-O-phosphono-beta-D-erythro-hexopyranosyl)pyrimidin-2(1H)-one
- C
identifiers:
- ns: pdb-ccd
id: XCT
structure: O[C@H]1CC[C@H](O[C@@H]1COP(=O)([O-])[O-])n1ccc(nc1=O)N
base_monomers:
- C
l_bond_atoms:
- molecule: Monomer
element: P
position: 13
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
XCY:
id: XCY
name: '{5-[4-{[4-(aminomethyl)benzyl]amino}-2-oxopyrimidin-1(2h)- yl]-3-hydroxytetrahydrofuran-2-yl}methyl
dihydrogen phosphate'
synonyms:
- C
- N-[4-(aminomethyl)benzyl]-2'-deoxycytidine 5'-(dihydrogen phosphate)
- '[(2R,3S,5R)-5-[4-[[4-(aminomethyl)phenyl]methylamino]-2-oxo-pyrimidin-1-yl]-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: XCY
structure: NCc1ccc(cc1)CNc1ccn(c(=O)n1)[C@H]1C[C@@H]([C@H](O1)COP(=O)([O-])[O-])O
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 32
l_bond_atoms:
- molecule: Monomer
element: P
position: 28
r_displaced_atoms:
- molecule: Monomer
element: H
position: 32
l_displaced_atoms:
- molecule: Monomer
element: O
position: 30
charge: -1
XFC:
id: XFC
name: 4-amino-1-(2-deoxy-2-fluoro-5-o-phosphono-beta-d-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-5-carbaldehyde
synonyms:
- 4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-5-carbaldehyde
- '[(2~{R},3~{R},4~{S},5~{R})-5-(4-azanyl-5-methanoyl-2-oxidanylidene-pyrimidin-1-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: XFC
structure: O=Cc1cn(c(=O)nc1N)[C@@H]1O[C@H]([C@H]([C@H]1F)O)COP(=O)(O)O
XGA:
id: XGA
name: 6-amino-3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-3,7-dihydro-8h-imidazo[4,5-g]quinazolin-8-one
synonyms:
- N
- 6-amino-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
- '[(2R,3S,5R)-5-(6-amino-8-oxo-7H-pyrimido[5,4-f]benzimidazol-3-yl)-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: XGA
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)(O)O)n1cnc2c1cc1nc(N)[nH]c(=O)c1c2
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
XGL:
id: XGL
name: '[(1s,4r,6r)-6-hydroxy-4-(guanin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen
phosphate'
synonyms:
- '[(1S,4R,6R)-4-(2-amino-6-oxo-1H-purin-9-yl)-6-hydroxy-1-cyclohex-2-enyl]methyl
dihydrogen phosphate'
- G
- '[(1S,4R,6R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: XGL
structure: O[C@H]1C[C@H](C=C[C@@H]1COP(=O)([O-])[O-])n1cnc2c1nc(N)[nH]c2=O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 13
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 16
charge: -1
XGR:
id: XGR
name: '[(1r,4s,6s)-4-(2-amino-6-oxo-1,6-dihydro-9h-purin-9-yl)-6-hydroxycyclohex-2-en-1-yl]methyl
dihydrogen phosphate'
synonyms:
- G
- '[(1R,4S,6S)-4-(2-azanyl-6-oxo-1H-purin-9-yl)-6-hydroxy-cyclohex-2-en-1-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: XGR
structure: O[C@H]1C[C@H](C=C[C@H]1COP(=O)([O-])[O-])n1cnc2c1nc(N)[nH]c2=O
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 13
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
XGU:
id: XGU
name: 2-amino-9-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)-1,9-dihydro-6h-purin-6-one
synonyms:
- G
- 2-amino-9-(2,3-dideoxy-6-O-phosphono-beta-D-erythro-hexopyranosyl)-1,9-dihydro-6H-purin-6-one
- '[(2R,3S,6R)-6-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-oxan-2-yl]methyl dihydrogen
phosphate'
identifiers:
- ns: pdb-ccd
id: XGU
structure: O[C@H]1CC[C@H](O[C@@H]1COP(=O)([O-])[O-])n1cnc2c1nc(N)[nH]c2=O
base_monomers:
- G
l_bond_atoms:
- molecule: Monomer
element: P
position: 13
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
XPB:
id: XPB
name: o6-[4-oxo-4-(3-pyridyl)butyl]-2'-deoxyguanosine-5'-monophosphate
synonyms:
- 9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-[4-oxo-4-(pyridin-3-yl)butoxy]-9H-purin-2-amine
- '[(2R,3S,5R)-5-[2-azanyl-6-(4-oxidanylidene-4-pyridin-3-yl-butoxy)purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: XPB
structure: O[C@@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1cnc2c1nc(N)nc2OCCCC(=O)c1cccnc1
base_monomers:
- G
XTF:
id: XTF
name: '[(1r,4r,5s,6r)-5-fluoro-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclohex-2-en-1-yl]methyl
dihydrogen phosphate'
synonyms:
- '[(1R,4R,5S,6R)-5-fluoranyl-4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxidanyl-cyclohex-2-en-1-yl]methyl
dihydrogen phosphate'
- '[(1R,4R,5S,6R)-5-fluoro-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclohex-2-en-1-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: XTF
structure: F[C@H]1[C@H](O)[C@H](C=C[C@@H]1n1cc(C)c(=O)[nH]c1=O)COP(=O)(O)O
base_monomers:
- T
XTH:
id: XTH
name: 1-(2,3-dideoxy-6-o-phosphono-beta-d-erythro-hexopyranosyl)-5-methylpyrimidine-2,4(1h,3h)-dione
synonyms:
- '[(2R,3S,6R)-3-hydroxy-6-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxan-2-yl]methyl
dihydrogen phosphate'
- 1-(2,3-dideoxy-6-O-phosphono-beta-D-erythro-hexopyranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
- T
identifiers:
- ns: pdb-ccd
id: XTH
structure: O[C@H]1CC[C@@H](O[C@H]1COP(=O)([O-])[O-])n1cc(C)c(=O)[nH]c1=O
base_monomers:
- T
l_bond_atoms:
- molecule: Monomer
element: P
position: 13
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
XTL:
id: XTL
name: '[(1s,4r,6r)-6-hydroxy-4-(thymin-9-yl)cyclohex-2-en-1-yl]methyl dihydrogen
phosphate'
synonyms:
- '[(1S,4R,6R)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclohex-2-en-1-yl]methyl
dihydrogen phosphate'
- '[(1S,4R,6R)-6-hydroxy-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-1-cyclohex-2-enyl]methyl
dihydrogen phosphate'
- T
identifiers:
- ns: pdb-ccd
id: XTL
structure: O[C@H]1C[C@H](C=C[C@@H]1COP(=O)([O-])[O-])n1cc(C)c(=O)[nH]c1=O
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 13
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 16
charge: -1
XTR:
id: XTR
name: '[(1r,4s,6s)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)cyclohex-2-en-1-yl]methyl
dihydrogen phosphate'
synonyms:
- '[(1R,4S,6S)-6-hydroxy-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-1-cyclohex-2-enyl]methyl
dihydrogen phosphate'
- '[(1R,4S,6S)-6-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)cyclohex-2-en-1-yl]methyl
dihydrogen phosphate'
- T
identifiers:
- ns: pdb-ccd
id: XTR
structure: O[C@@H]1C[C@H](C=C[C@@H]1COP(=O)([O-])[O-])n1cc(C)c(=O)[nH]c1=O
base_monomers:
- T
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 13
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
XTY:
id: XTY
name: (1r)-1,4-anhydro-2-deoxy-1-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-8-yl)-5-o-phosphono-d-erythro-pentitol
synonyms:
- N
- (1R)-1,4-anhydro-2-deoxy-1-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-8-yl)-5-O-phosphono-D-erythro-pentitol
- '[(2R,3S,5R)-3-hydroxy-5-(6-methyl-2,4-dioxo-1H-quinazolin-8-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: XTY
structure: Cc1cc([C@H]2O[C@@H]([C@@H](C2)O)COP(=O)(O)O)c2c(c1)c(=O)[nH]c(=O)[nH]2
r_bond_atoms:
- molecule: Monomer
element: O
position: 13
r_displaced_atoms:
- molecule: Monomer
element: H
position: 13
XUA:
id: XUA
name: 2'-se-methyl-2'-selenoadenosine 5'-(dihydrogen phosphate)
synonyms:
- 2'-Se-methyl-2'-selenoadenosine 5'-(dihydrogen phosphate)
- A
- '[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-methylselanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: XUA
structure: C[Se][C@H]1[C@@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)([O-])[O-]
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 7
l_bond_atoms:
- molecule: Monomer
element: P
position: 25
r_displaced_atoms:
- molecule: Monomer
element: H
position: 7
l_displaced_atoms:
- molecule: Monomer
element: O
position: 28
charge: -1
XUG:
id: XUG
name: 2'-se-methyl-2'-selenoguanosine 5'-(dihydrogen phosphate)
synonyms:
- G
- '[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxy-4-methylselanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-Se-methyl-2'-selenoguanosine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: XUG
structure: C[Se][C@H]1[C@@H](O)[C@H](O[C@@H]1n1cnc2c1nc(N)[nH]c2=O)COP(=O)([O-])[O-]
base_monomers:
- G
r_bond_atoms:
- molecule: Monomer
element: O
position: 7
l_bond_atoms:
- molecule: Monomer
element: P
position: 27
r_displaced_atoms:
- molecule: Monomer
element: H
position: 7
l_displaced_atoms:
- molecule: Monomer
element: O
position: 30
charge: -1
Y:
id: Y
name: 2'-deoxy-n6-(s)styrene oxide adenosine monophosphate
synonyms:
- '[(2R,3S,5R)-3-hydroxy-5-[6-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]purin-9-yl]oxolan-2-yl]methyl
dihydrogen phosphate'
- 2'-deoxy-N-[(1S)-2-hydroxy-1-phenylethyl]adenosine 5'-(dihydrogen phosphate)
- A
identifiers:
- ns: pdb-ccd
id: Y
structure: OC[C@@H](c1ccccc1)Nc1ncnc2c1ncn2[C@@H]1C[C@@H]([C@H](O1)COP(=O)([O-])[O-])O
base_monomers:
- A
r_bond_atoms:
- molecule: Monomer
element: O
position: 35
l_bond_atoms:
- molecule: Monomer
element: P
position: 31
r_displaced_atoms:
- molecule: Monomer
element: H
position: 35
l_displaced_atoms:
- molecule: Monomer
element: O
position: 34
charge: -1
YCO:
id: YCO
name: 3-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)-1h-pyrimido[5,4-b][1,4]benzoxazin-2(3h)-one
synonyms:
- 3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-pyrimido[5,4-b][1,4]benzoxazin-2(3H)-one
- '[(2R,3S,5R)-3-hydroxy-5-(2-oxo-1H-pyrimido[5,4-b][1,4]benzoxazin-3-yl)oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: YCO
structure: O[C@@H]1C[C@@H](O[C@H]1COP(=O)([O-])[O-])n1cc2oc3ccccc3nc2[nH]c1=O
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
YRR:
id: YRR
name: 3-hydroxy-pyrrolidin-2-ylmethyl-monophosphate group
synonyms:
- N
- '[(2R,3S)-3-hydroxypyrrolidin-2-yl]methyl dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: YRR
structure: O[C@H]1CCN[C@@H]1CO[P@](=O)(O)[O-]
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
Z:
id: Z
name: 1-(2-deoxy-5-o-phosphono-beta-d-erythro-pentofuranosyl)pyrimidin-2(1h)-one
synonyms:
- 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)pyrimidin-2(1H)-one
- C
- '[(2R,3S,5R)-3-hydroxy-5-(2-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen
phosphate'
identifiers:
- ns: pdb-ccd
id: Z
structure: O[C@H]1C[C@H](O[C@@H]1COP(=O)([O-])[O-])n1cccnc1=O
base_monomers:
- C
r_bond_atoms:
- molecule: Monomer
element: O
position: 1
l_bond_atoms:
- molecule: Monomer
element: P
position: 12
r_displaced_atoms:
- molecule: Monomer
element: H
position: 1
l_displaced_atoms:
- molecule: Monomer
element: O
position: 15
charge: -1
ZDU:
id: ZDU
name: 5-(3-aminopropyl)-2'-deoxyuridine-5'-monophosphate
synonyms:
- '[(2R,3S,5R)-5-[5-(3-aminopropyl)-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-oxolan-2-yl]methyl
dihydrogen phosphate'
- 5-(3-aminopropyl)-2'-deoxyuridine 5'-(dihydrogen phosphate)
- U
identifiers:
- ns: pdb-ccd
id: ZDU
structure: NCCCc1cn([C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])[O-])O)c(=O)[nH]c1=O
r_bond_atoms:
- molecule: Monomer
element: O
position: 22
l_bond_atoms:
- molecule: Monomer
element: P
position: 18
r_displaced_atoms:
- molecule: Monomer
element: H
position: 22
l_displaced_atoms:
- molecule: Monomer
element: O
position: 21
charge: -1
JSP:
id: JSP
name: (1r)-1-(4-amino-1-methyl-2-oxo-1,2-dihydropyrimidin-5-yl)-1,4-anhydro-2-deoxy-5-o-phosphono-d-erythro-pentitol
synonyms:
- (1R)-1-(4-amino-1-methyl-2-oxo-1,2-dihydropyrimidin-5-yl)-1,4-anhydro-2-deoxy-5-O-phosphono-D-erythro-pentitol
- '[(2~{R},3~{S},5~{R})-5-(4-azanyl-1-methyl-2-oxidanylidene-pyrimidin-5-yl)-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: JSP
structure: O[C@@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)c1cn(C)c(=O)nc1N
F74:
id: F74
name: 8-chloro-2'-deoxyguanosine 5'-(dihydrogen phosphate)
synonyms:
- '[(2~{R},3~{S},5~{R})-5-(2-azanyl-8-chloranyl-6-oxidanylidene-3~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
- 8-chloro-2'-deoxyguanosine 5'-(dihydrogen phosphate)
identifiers:
- ns: pdb-ccd
id: F74
structure: O[C@@H]1C[C@H](O[C@H]1COP(=O)(O)O)n1c(Cl)nc2c1[nH]c(N)nc2=O
base_monomers:
- G
AWC:
id: AWC
name: 2'-deoxy-5'-o-[(r)-hydroxy(oxo)-lambda~5~-phosphanyl]-5-selenophen-2-yluridine
synonyms:
- '[(2~{R},3~{S},5~{R})-5-[2,4-bis(oxidanylidene)-5-selenophen-2-yl-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxyphosphinic
acid'
- 2'-deoxy-5'-O-[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]-5-selenophen-2-yluridine
identifiers:
- ns: pdb-ccd
id: AWC
structure: O[P@@H](=O)OC[C@@H]1O[C@H](C[C@H]1O)n1cc(c2ccc[se]2)c(=O)[nH]c1=O
DZ:
id: DZ
name: '[(2~{r},3~{s},5~{r})-5-(6-azanyl-5-nitro-2-oxidanylidene-1~{h}-pyridin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
synonyms:
- '[(2~{R},3~{S},5~{R})-5-(6-azanyl-5-nitro-2-oxidanylidene-1~{H}-pyridin-3-yl)-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: DZ
structure: O[C@@H]1C[C@H](O[C@@H]1COP(=O)(O)O)c1cc([N+](=O)[O-])c([nH]c1=O)N
DP:
id: DP
name: '[(2~{r},3~{s},5~{r})-5-(2-azanyl-4-oxidanylidene-imidazo[1,2-a][1,3,5]triazin-8-yl)-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
synonyms:
- '[(2~{R},3~{S},5~{R})-5-(2-azanyl-4-oxidanylidene-imidazo[1,2-a][1,3,5]triazin-8-yl)-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate'
identifiers:
- ns: pdb-ccd
id: DP
structure: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1ccn2c1nc(N)nc2=O