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CHEBI:68447 - 1,3-dimethyluric acid

ChEBI IDCHEBI:68447
ChEBI Name1,3-dimethyluric acid
Stars
DefinitionAn oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trionesubstituted by methyl groups at N-1 and N-3.
Last Modified12 October 2016
Submittermwilliams
DownloadsMolfile
FormulaC7H8N4O3
Net Charge0
Average Mass196.166
Monoisotopic Mass196.05964
SMILESCn1c(=O)c2nc(=O)nc2n(C)c1=O
InChIInChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13)
InChIKeyOTSBKHHWSQYEHK-UHFFFAOYSA-N
Roles Classification
Biological Role:
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)
1,3-dimethyluric acid (CHEBI:68447) has functional parent 7,9-dihydro-1H-purine-2,6,8(3H)-trione (CHEBI:17775)
1,3-dimethyluric acid (CHEBI:68447) has role metabolite (CHEBI:25212)
1,3-dimethyluric acid (CHEBI:68447) is a oxopurine (CHEBI:25810)
1,3-dimethyluric acid (CHEBI:68447) is conjugate acid of 1,3-dimethylurate anion (CHEBI:133726)
Incoming Relation(s)
1,3-dimethylurate anion (CHEBI:133726) is conjugate base of 1,3-dimethyluric acid (CHEBI:68447)
IUPAC Name 
1,3-dimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
Synonym  Source
oxytheophyllineMetaCyc
Manual XrefsDatabases
HMDB0001857HMDB
CPD-14118MetaCyc
Registry NumbersSources
Reaxys:193698Reaxys
CAS:944-73-0ChemIDplus
Citations