1,7-dimethyluric acid (CHEBI:68449)

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ChEBI Name	1,7-dimethyluric acid

ChEBI ID	CHEBI:68449

Definition	An oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trione substituted by methyl groups at N-1 and N-7. It is a metabolite of caffeine and is often found in human urine samples.

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

Supplier Information

Download	Molfile XML SDF

Formula

C7H8N4O3

Net Charge

Average Mass

196.16340

Monoisotopic Mass

196.05964

InChI

InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14)

InChIKey

NOFNCLGCUJJPKU-UHFFFAOYSA-N

SMILES

Cn1c2c([nH]c1=O)[nH]c(=O)n(C)c2=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	1,7-dimethyluric acid (CHEBI:68449) has functional parent 7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775) 1,7-dimethyluric acid (CHEBI:68449) has role human xenobiotic metabolite (CHEBI:76967) 1,7-dimethyluric acid (CHEBI:68449) has role mouse metabolite (CHEBI:75771) 1,7-dimethyluric acid (CHEBI:68449) is a oxopurine (CHEBI:25810) 1,7-dimethyluric acid (CHEBI:68449) is conjugate acid of 1,7-dimethylurate anion (CHEBI:133727)

Incoming	1,7-dimethylurate anion (CHEBI:133727) is conjugate base of 1,7-dimethyluric acid (CHEBI:68449)

IUPAC Name

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

Last Modified

12 October 2016