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CHEBI:68531 - 3,7-dimethyluric acid

ChEBI IDCHEBI:68531
ChEBI Name3,7-dimethyluric acid
Stars
DefinitionAn oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trione substituted by methyl groups at N-3 and N-7.
Last Modified15 September 2023
Submittermwilliams
DownloadsMolfile
FormulaC7H8N4O3
Net Charge0
Average Mass196.166
Monoisotopic Mass196.05964
SMILESCn1c(=O)nc(=O)c2c1nc(=O)n2C
InChIInChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)11(2)7(14)9-5(3)12/h1-2H3,(H,8,13)(H,9,12,14)
InChIKeyHMLZLHKHNBLLJD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3,7-dimethyluric acid (CHEBI:68531) has functional parent 7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775)
3,7-dimethyluric acid (CHEBI:68531) has role metabolite (CHEBI:25212)
3,7-dimethyluric acid (CHEBI:68531) has role mouse metabolite (CHEBI:75771)
3,7-dimethyluric acid (CHEBI:68531) is a oxopurine (CHEBI:25810)
3,7-dimethyluric acid (CHEBI:68531) is conjugate acid of 3,7-dimethylurate anion (CHEBI:133728)
Incoming Relation(s)
3,7-dimethylurate anion (CHEBI:133728) is conjugate base of 3,7-dimethyluric acid (CHEBI:68531)
IUPAC Name 
3,7-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
UniProt Name  Source
3,7-dimethylurateUniProt
Manual XrefsDatabases
HMDB0001982HMDB
C16360KEGG COMPOUND
CPD-12482MetaCyc
Registry NumbersSources
Reaxys:218966Reaxys
CAS:13087-49-5ChemIDplus
CAS:13087-49-5KEGG COMPOUND
Citations