CHEBI:68441 - 1-methyluric acid

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ChEBI Name 1-methyluric acid
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.
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Formula C6H6N4O3
Net Charge 0
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)
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.
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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)
Manual Xrefs Databases
CPD-14119 MetaCyc
HMDB0003099 HMDB
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Registry Numbers Types Sources
195190 Reaxys Registry Number Reaxys
708-79-2 CAS Registry Number KEGG COMPOUND
708-79-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
15537072 PubMed citation Europe PMC
22770225 PubMed citation Europe PMC
Last Modified
12 October 2016