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

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ChEBI Name	1-methyl-7H-xanthine

ChEBI ID	CHEBI:68444

ChEBI ASCII Name	1-methyl-7H-xanthine

Definition	A 1-methylxanthine tautomer where the imidazole proton is located at the 7-position.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C6H6N4O2

Net Charge

Average Mass

166.13740

Monoisotopic Mass

166.04908

InChI

InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)

InChIKey

MVOYJPOZRLFTCP-UHFFFAOYSA-N

SMILES

Cn1c(=O)[nH]c2nc[nH]c2c1=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed

Roles Classification
Biological Role(s):	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. (via 1-methylxanthine ) metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid )

ChEBI Ontology
Outgoing	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	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

Citation	Type	Source
22770225	PubMed citation	Europe PMC

Last Modified

27 November 2019