1-methyluric acid (CHEBI:68441)

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ChEBI Name	1-methyluric acid

ChEBI ID	CHEBI:68441

Definition	An oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trione substituted by a methyl group at N-1. It is one of the metabolites of caffeine found in human urine.

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

Supplier Information

Download	Molfile XML SDF

Formula

C6H6N4O3

Net Charge

Average Mass

182.13680

Monoisotopic Mass

182.04399

InChI

InChI=1S/C6H6N4O3/c1-10-4(11)2-3(9-6(10)13)8-5(12)7-2/h1H3,(H,9,13)(H2,7,8,12)

InChIKey

QFDRTQONISXGJA-UHFFFAOYSA-N

SMILES

Cn1c(=O)[nH]c2[nH]c(=O)[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.

ChEBI Ontology
Outgoing	1-methyluric acid (CHEBI:68441) has functional parent 7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775) 1-methyluric acid (CHEBI:68441) has role human xenobiotic metabolite (CHEBI:76967) 1-methyluric acid (CHEBI:68441) has role mouse metabolite (CHEBI:75771) 1-methyluric acid (CHEBI:68441) is a oxopurine (CHEBI:25810) 1-methyluric acid (CHEBI:68441) is conjugate acid of 1-methylurate anion (CHEBI:133725)

Incoming	1-methylurate anion (CHEBI:133725) is conjugate base of 1-methyluric acid (CHEBI:68441)

IUPAC Name

1-methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione

Last Modified

12 October 2016