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CHEBI:44605 - 8-oxoguanine

ChEBI IDCHEBI:44605
ChEBI Name8-oxoguanine
Stars
DefinitionAn oxopurine that is guanine which is substituted by an oxo group at position 8.
Secondary ChEBI IDsCHEBI:29116, CHEBI:44603
Last Modified4 September 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC5H3N5O2
Net Charge0
Average Mass165.112
Monoisotopic Mass165.02867
SMILESNc1nc(=O)c2c(n1)=NC(=O)N=2
InChIInChI=1S/C5H3N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H3,6,8,9,10,11,12)
InChIKeyUBKVUFQGVWHZIR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
8-oxoguanine (CHEBI:44605) has functional parent guanine (CHEBI:16235)
8-oxoguanine (CHEBI:44605) is a 2-aminopurines (CHEBI:20702)
8-oxoguanine (CHEBI:44605) is a oxopurine (CHEBI:25810)
IUPAC Name 
2-amino-1H-purine-6,8-dione
Synonym  Source
8-OXOGUANINEPDBeChem
Manual XrefsDatabases
OXGPDBeChem
Registry NumbersSources
Reaxys:13603508Reaxys
CAS:82014-86-6ChemIDplus