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CHEBI:134104 - 8-oxoadenine

ChEBI IDCHEBI:134104
ChEBI Name8-oxoadenine
Stars
DefinitionAn oxopurine that is adenine bearing a single oxo substituent at position 8.
Last Modified11 November 2021
SubmitterSteve
DownloadsMolfile
FormulaC5H5N5O
Net Charge0
Average Mass151.129
Monoisotopic Mass151.04941
SMILESNc1ncnc2nc(=O)nc12
InChIInChI=1S/C5H5N5O/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H4,6,7,8,9,10,11)
InChIKeyRGKBRPAAQSHTED-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (26188111)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
8-oxoadenine (CHEBI:134104) has functional parent adenine (CHEBI:16708)
8-oxoadenine (CHEBI:134104) has role human metabolite (CHEBI:77746)
8-oxoadenine (CHEBI:134104) is a 6-aminopurines (CHEBI:20706)
8-oxoadenine (CHEBI:134104) is a nucleobase analogue (CHEBI:67142)
8-oxoadenine (CHEBI:134104) is a oxopurine (CHEBI:25810)
8-oxoadenine (CHEBI:134104) is tautomer of 8-hydroxyadenine (CHEBI:134105)
Incoming Relation(s)
8-hydroxyadenine (CHEBI:134105) is tautomer of 8-oxoadenine (CHEBI:134104)
IUPAC Name 
6-amino-1,7-dihydro-8H-purin-8-one
Synonyms  Source
7,8-Dihydro-8-oxoadenineChemIDplus
OxyadenineHMDB
8-oxoAChEBI
8-oxo-7,8-dihydroadenineHMDB
Manual XrefsDatabases
C00043227KNApSAcK
HMDB0000542HMDB
Registry NumbersSources
Reaxys:151789Reaxys
CAS:21149-26-8KNApSAcK
CAS:21149-26-8ChemIDplus
Citations