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- ChemComp-8OG: 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: 8OG
NameName: 8-oxo-2'-deoxy-guanosine-5'-monophosphate
Synonyms: 8-OXO-7,8-DIHYDRO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE

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Chemical information

Composition
Formula: C10H14N5O8P / Number of atoms: 38 / Formula weight: 363.221 / Formal charge: 0
Others

1fyi

DG

G42

Type: DNA LINKING / PDB classification: ATOMN / One letter code: G / Three letter code: 8OG / Model coordinates PDB-ID: 1FYI / Parent comp.: DG / Replaces: G42
History
Create componentOct 3, 2000
Modify descriptorJun 4, 2011
Modify synonymsMar 13, 2021
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C1C=2NC(=O)N(C=2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O
CACTVS 3.341NC1=NC2=C(NC(=O)N2[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3)C(=O)N1
OpenEye OEToolkits 1.5.0C1C(C(OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O

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SMILES CANONICAL

CACTVS 3.341NC1=NC2=C(NC(=O)N2[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3)C(=O)N1
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O

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InChI

InChI 1.03InChI=1S/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1

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InChIKey

InChI 1.03AQIVLFLYHYFRKU-VPENINKCSA-N

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SYSTEMATIC NAME

ACDLabs 10.042'-deoxy-8-oxoguanosine 5'-(dihydrogen phosphate)
OpenEye OEToolkits 1.5.0[(2R,3S,5R)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate

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