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- ChemComp-OXG: 8-OXOGUANINE -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: OXG
NameName: 8-oxoguanine

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Chemical information

Composition
Formula: C5H3N5O2 / Number of atoms: 15 / Formula weight: 165.11 / Formal charge: 0
Others

1hu0

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: OXG / Model coordinates PDB-ID: 1HU0
History
Create componentJan 10, 2001
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / ChEBI / CompTox / HMDB / Nikkaji / PubChem / SureChEMBL / 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=C1C2=NC(=O)N=C2N=C(N1)N
CACTVS 3.341NC1=NC2=NC(=O)N=C2C(=O)N1
OpenEye OEToolkits 1.5.0C12=NC(=O)N=C1N=C(NC2=O)N

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SMILES CANONICAL

CACTVS 3.341NC1=NC2=NC(=O)N=C2C(=O)N1
OpenEye OEToolkits 1.5.0C12=NC(=O)N=C1N=C(NC2=O)N

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InChI

InChI 1.03InChI=1S/C5H3N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H3,6,8,9,10,11,12)

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InChIKey

InChI 1.03UBKVUFQGVWHZIR-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-amino-1H-purine-6,8-dione
OpenEye OEToolkits 1.5.02-amino-1H-purine-6,8-dione

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PDB entries

Showing all 5 items

PDB-1hu0:
CRYSTAL STRUCTURE OF AN HOGG1-DNA BOROHYDRIDE TRAPPED INTERMEDIATE COMPLEX

PDB-2ogf:
Crystal structure of protein MJ0408 from Methanococcus jannaschii, Pfam DUF372

PDB-9nbc:
RNA scaffold attached to 8-oxoguanine riboswitch aptamer

PDB-9ndd:
RNA scaffold attached to 8-oxoguanine riboswitch aptamer, combined core plus aptamer

PDB-9v4z:
Crystal structure of Guanine-II riboswitch in complex with 8-oxoguanine

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