3-methyl-7H-xanthine (CHEBI:62208)

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ChEBI Name	3-methyl-7H-xanthine

ChEBI ID	CHEBI:62208

ChEBI ASCII Name	3-methyl-7H-xanthine

Definition	A 3-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/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,7,8)(H,9,11,12)

InChIKey

GMSNIKWWOQHZGF-UHFFFAOYSA-N

SMILES

Cn1c2nc[nH]c2c(=O)[nH]c1=O

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid ) animal metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals. (via 3-methylxanthine ) marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. (via 3-methylxanthine ) human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. (via 3-methylxanthine )

ChEBI Ontology
Outgoing	3-methyl-7H-xanthine (CHEBI:62208) has role metabolite (CHEBI:25212) 3-methyl-7H-xanthine (CHEBI:62208) is a 3-methylxanthine (CHEBI:62205) 3-methyl-7H-xanthine (CHEBI:62208) is tautomer of 3-methyl-9H-xanthine (CHEBI:62207)

Incoming	3-methyl-9H-xanthine (CHEBI:62207) is tautomer of 3-methyl-7H-xanthine (CHEBI:62208)

IUPAC Name

3-methyl-3,7-dihydro-1H-purine-2,6-dione

Synonyms	Sources
3,7-dihydro-3-methyl-1H-purine-2,6-dione	ChEBI
3-methyl-3,7(9)-dihydro-purine-2,6-dione	ChEBI
3-methylxanthine	UniProt
3-methylxanthine	ChEBI
N¹-demethyltheophylline	ChEBI

Last Modified

23 October 2015