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- ChemComp-8HG: 2'-DEOXY-8-OXOGUANOSINE -

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Basic information

EntryDatabase: PDB chemical components / ID: 8HG
NameName: 2'-deoxy-8-oxoguanosine

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Chemical information

Composition
Formula: C10H13N5O5 / Number of atoms: 33 / Formula weight: 283.241 / Formal charge: 0
Others

1xqp

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 8HG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1XQP
History
Create componentOct 21, 2004
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / DrugBank / HMDB / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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)CO
CACTVS 3.341NC1=NC2=C(NC(=O)N2[CH]3C[CH](O)[CH](CO)O3)C(=O)N1
OpenEye OEToolkits 1.5.0C1C(C(OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO)O

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SMILES CANONICAL

CACTVS 3.341NC1=NC2=C(NC(=O)N2[C@H]3C[C@H](O)[C@@H](CO)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)CO)O

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InChI

InChI 1.03InChI=1S/C10H13N5O5/c11-9-13-7-6(8(18)14-9)12-10(19)15(7)5-1-3(17)4(2-16)20-5/h3-5,16-17H,1-2H2,(H,12,19)(H3,11,13,14,18)/t3-,4+,5+/m0/s1

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InChIKey

InChI 1.03HCAJQHYUCKICQH-VPENINKCSA-N

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SYSTEMATIC NAME

ACDLabs 10.042'-deoxy-8-oxoguanosine
OpenEye OEToolkits 1.5.02-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione

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PDB entries

Showing all 4 items

PDB-1xqp:
Crystal structure of 8-oxoguanosine complexed Pa-AGOG, 8-oxoguanine DNA glycosylase from Pyrobaculum aerophilum

PDB-2a5b:
Avidin complexed with 8-oxodeoxyguanosine

PDB-3f10:
Crystal structure of Clostridium Acetobutylicum 8-oxoguanine DNA glycosylase in complex with 8-oxoguanosine

PDB-7oli:
Crystal structure of Pab-AGOG in complex with 8-oxoguanosine

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