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CHEBI:27248 - urocanic acid

ChEBI IDCHEBI:27248
ChEBI Nameurocanic acid
Stars
DefinitionAn α,β-unsaturated monocarboxylic acid that is prop-2-enoic acid substituted by a 1H-imidazol-4-yl group at position 3. It is a metabolite of hidtidine.
Last Modified18 April 2024
DownloadsMolfile

FormulaC6H6N2O2
Net Charge0
Average Mass138.126
Monoisotopic Mass138.04293
SMILES[H]C(C(=O)O)=C([H])c1cncn1
InChIInChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)
InChIKeyLOIYMIARKYCTBW-UHFFFAOYSA-N

Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (8825190)
Roles Classification

ChEBI Ontology
IUPAC Name 
3-(1H-imidazol-4-yl)prop-2-enoic acid
Synonyms  Source
3-(1H-imidazol-4-yl)-2-propenoic acidChemIDplus
3-imidazol-4-ylacrylic acidChemIDplus
Manual XrefsDatabases
UROPDBeChem
HMDB0000301HMDB
UROCANATEMetaCyc
ECMDB21396ECMDB
Urocanic_acidWikipedia
Registry NumbersSources
Reaxys:8128219Reaxys
CAS:104-98-3ChemIDplus
Citations