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CHEBI:90885 - 1,3,7-trimethyl-5-hydroxyisouric acid

Default Structure
ChEBI IDCHEBI:90885
ChEBI Name1,3,7-trimethyl-5-hydroxyisouric acid
Stars
DefinitionA member of the class of oxopurines that is 5-hydroxyisouric acid carrying three additional methyl substituents at positions 1, 3 and 7.
Last Modified26 February 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC8H10N4O4
Net Charge0
Average Mass226.192
Monoisotopic Mass226.07020
SMILESCN1C(=O)N(C)C2=NC(=O)N(C)C2(O)C1=O
InChIInChI=1S/C8H10N4O4/c1-10-4-8(16,12(3)6(14)9-4)5(13)11(2)7(10)15/h16H,1-3H3
InChIKeyXNXQVRHXDIDGDT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas sp. (ncbitaxon:306) - PubMed (22609920) Strain: CBB1
Roles Classification
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
1,3,7-trimethyl-5-hydroxyisouric acid (CHEBI:90885) has functional parent 5-hydroxyisouric acid (CHEBI:18072)
1,3,7-trimethyl-5-hydroxyisouric acid (CHEBI:90885) has role bacterial xenobiotic metabolite (CHEBI:76976)
1,3,7-trimethyl-5-hydroxyisouric acid (CHEBI:90885) is a oxopurine (CHEBI:25810)
IUPAC Name 
5-hydroxy-1,3,7-trimethyl-5,7-dihydro-1H-purine-2,6,8(3H)-trione
UniProt Name  Source
1,3,7-trimethyl-5-hydroxyisourateUniProt
Manual XrefsDatabases
CPD-16697MetaCyc
Registry NumbersSources
Reaxys:8262001Reaxys
Citations