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CHEBI:68444 - 1-methyl-7H-xanthine

ChEBI IDCHEBI:68444
ChEBI Name1-methyl-7H-xanthine
Stars
ASCII Name1-methyl-7H-xanthine
DefinitionA 1-methylxanthine tautomer where the imidazole proton is located at the 7-position.
Last Modified27 November 2019
Submittermwilliams
DownloadsMolfile
FormulaC6H6N4O2
Net Charge0
Average Mass166.140
Monoisotopic Mass166.04908
SMILESCn1c(=O)nc2ncnc2c1=O
InChIInChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)
InChIKeyMVOYJPOZRLFTCP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1-methyl-7H-xanthine (CHEBI:68444) has functional parent 7H-xanthine (CHEBI:48517)
1-methyl-7H-xanthine (CHEBI:68444) has role mouse metabolite (CHEBI:75771)
1-methyl-7H-xanthine (CHEBI:68444) is a 1-methylxanthine (CHEBI:68443)
Incoming Relation(s)
1-methyl-3-propyl-7H-xanthine (CHEBI:145517) has functional parent 1-methyl-7H-xanthine (CHEBI:68444)
IUPAC Name 
1-methyl-3,7-dihydro-1H-purine-2,6-dione
Manual XrefsDatabases
HMDB0010738HMDB
C16358KEGG COMPOUND
CPD-9025MetaCyc
Registry NumbersSources
Reaxys:171507Reaxys
CAS:6136-37-4ChemIDplus
CAS:6136-37-4KEGG COMPOUND
Citations