1,3,7-trimethyluric acid (CHEBI:691622)

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ChEBI Name	1,3,7-trimethyluric acid

ChEBI ID	CHEBI:691622

Definition	An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8, and the nitrogens at positions 1, 3, and 7 are substituted by methyl groups. It is a metabolite of caffeine.

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

Supplier Information

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Formula

C8H10N4O3

Net Charge

Average Mass

210.19000

Monoisotopic Mass

210.07529

InChI

InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)

InChIKey

BYXCFUMGEBZDDI-UHFFFAOYSA-N

SMILES

Cn1c2[nH]c(=O)n(C)c2c(=O)n(C)c1=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606)	Found in blood serum (BTO:0000133). See: MetaboLights Study

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. human blood serum metabolite Any metabolite (endogenous or exogenous) found in human blood serum samples.

ChEBI Ontology
Outgoing	1,3,7-trimethyluric acid (CHEBI:691622) has role human blood serum metabolite (CHEBI:85234) 1,3,7-trimethyluric acid (CHEBI:691622) has role human xenobiotic metabolite (CHEBI:76967) 1,3,7-trimethyluric acid (CHEBI:691622) has role mouse metabolite (CHEBI:75771) 1,3,7-trimethyluric acid (CHEBI:691622) is a oxopurine (CHEBI:25810) 1,3,7-trimethyluric acid (CHEBI:691622) is conjugate acid of 1,3,7-trimethylurate (CHEBI:132940)

Incoming	1,3,7-trimethylurate (CHEBI:132940) is conjugate base of 1,3,7-trimethyluric acid (CHEBI:691622)

IUPAC Name

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

Synonyms	Sources
1,3,7-trimethylurate	UniProt
1,3,7-trimethylurate	ChEBI
1,3,7-Trimethyluric acid	ChEMBL
7,9-dihydro-1,3,7-trimethyl-1H-purine-2,6,8(3H)-trione	ChemIDplus
8-oxy-caffeine	ChEBI

Last Modified

08 August 2016