CHEBI:68447 - 1,3-dimethyluric acid

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ChEBI Name 1,3-dimethyluric acid
Definition An oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trionesubstituted by methyl groups at N-1 and N-3.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C7H8N4O3
Net Charge 0
Average Mass 196.16340
Monoisotopic Mass 196.05964
InChI InChI=1S/C7H8N4O3/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13)
SMILES Cn1c2[nH]c(=O)[nH]c2c(=O)n(C)c1=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 1,3-dimethylurate anion (CHEBI:133726) is conjugate base of 1,3-dimethyluric acid (CHEBI:68447)
Synonym Source
oxytheophylline MetaCyc
Manual Xrefs Databases
CPD-14118 MetaCyc
HMDB0001857 HMDB
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Registry Numbers Types Sources
193698 Reaxys Registry Number Reaxys
944-73-0 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
22770225 PubMed citation Europe PMC
Last Modified
12 October 2016