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CHEBI:73959 - 1-methylhypoxanthine

ChEBI IDCHEBI:73959
ChEBI Name1-methylhypoxanthine
Stars
DefinitionA methylhypoxanthine that is hypoxanthine with the methyl group at position 1.
Last Modified6 January 2020
Submittermwilliams
DownloadsMolfile
FormulaC6H6N4O
Net Charge0
Average Mass150.141
Monoisotopic Mass150.05416
SMILESCn1cnc2ncnc2c1=O
InChIInChI=1S/C6H6N4O/c1-10-3-9-5-4(6(10)11)7-2-8-5/h2-3H,1H3,(H,7,8)
InChIKeyKIQMCGMHGVXDFW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (28238935) Identified in the urine of pregnant women diagnosed with gestational diabetes mellitus.
Rattus norvegicus (ncbitaxon:10116) urine (BTO:0001419) PubMed (7397688) Identified in the urine of Sprague-Dawley rats bearing Yoshida tumour.
Roles Classification
Biological Roles:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
ChEBI Ontology
Outgoing Relation(s)
1-methylhypoxanthine (CHEBI:73959) has role human urinary metabolite (CHEBI:84087)
1-methylhypoxanthine (CHEBI:73959) has role rat metabolite (CHEBI:86264)
1-methylhypoxanthine (CHEBI:73959) is a methylhypoxanthine (CHEBI:73958)
IUPAC Name 
1-methyl-1,7-dihydro-6H-purin-6-one
Synonyms  Source
1,7-Dihydro-1-methyl-6H-Purin-6-oneHMDB
1-Methyl-1,9-dihydro-6H-purin-6-oneHMDB
1-methyl-hypoxanthineChemIDplus
Manual XrefsDatabases
HMDB0013141HMDB
FDB029310FooDB
Registry NumbersSources
Reaxys:145942Reaxys
CAS:1125-39-9ChemIDplus
CAS:1125-39-9NIST Chemistry WebBook
Citations