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CHEBI:52617 - 7,8-dihydro-8-oxoguanine

ChEBI IDCHEBI:52617
ChEBI Name7,8-dihydro-8-oxoguanine
Stars
DefinitionAn oxopurine that is guanine in which the hydrogen at position 8 is replaced by an oxo group and in which the nitrogens at positions 7 and 9 each bear a hydrogen.
Last Modified23 October 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC5H5N5O2
Net Charge0
Average Mass167.128
Monoisotopic Mass167.04432
SMILESNc1nc(=O)c2nc(=O)nc2n1
InChIInChI=1S/C5H5N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)
InChIKeyCLGFIVUFZRGQRP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
7,8-dihydro-8-oxoguanine (CHEBI:52617) has functional parent guanine (CHEBI:16235)
7,8-dihydro-8-oxoguanine (CHEBI:52617) is a oxopurine (CHEBI:25810)
Incoming Relation(s)
7,8-dihydro-8-oxoguanyl group (CHEBI:176966) is substituent group from 7,8-dihydro-8-oxoguanine (CHEBI:52617)
IUPAC Name 
2-amino-7,9-dihydro-1H-purine-6,8-dione
Synonym  Source
8-HydroxyguanineChEBI
UniProt Name  Source
8-oxoguanineUniProt
Registry NumbersSources
CAS:5614-64-2ChemIDplus