EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:17771 - trans-urocanate

Default Structure
ChEBI IDCHEBI:17771
ChEBI Nametrans-urocanate
Stars
ASCII Nametrans-urocanate
DefinitionA urocanate obtained by deprotonation of the carboxy group of trans-urocanic acid; major species at pH 7.3.
Secondary ChEBI IDCHEBI:15298
Last Modified10 March 2014
DownloadsMolfile
FormulaC6H5N2O2
Net Charge-1
Average Mass137.118
Monoisotopic Mass137.03565
SMILESO=C([O-])/C=C/c1cncn1
InChIInChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/p-1/b2-1+
InChIKeyLOIYMIARKYCTBW-OWOJBTEDSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
trans-urocanate (CHEBI:17771) has role human metabolite (CHEBI:77746)
trans-urocanate (CHEBI:17771) is a urocanate (CHEBI:27247)
trans-urocanate (CHEBI:17771) is conjugate base of trans-urocanic acid (CHEBI:30817)
Incoming Relation(s)
trans-urocanic acid (CHEBI:30817) is conjugate acid of trans-urocanate (CHEBI:17771)
IUPAC Name 
(2E)-3-(1H-imidazol-4-yl)prop-2-enoate
Synonym  Source
(E)-3-(imidazol-4-yl)propenoateIUBMB
UniProt Name  Source
trans-urocanateUniProt
Registry NumbersSources
Reaxys:5735282Reaxys