CHEBI:30817 - trans-urocanic acid

Main ChEBI Ontology Automatic Xrefs
ChEBI Name trans-urocanic acid
ChEBI ID CHEBI:30817
ChEBI ASCII Name trans-urocanic acid
Definition The trans-isomer of urocanic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:46392, CHEBI:9899
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Formula C6H6N2O2
Net Charge 0
Average Mass 138.12412
InChI InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+
InChIKey LOIYMIARKYCTBW-OWOJBTEDSA-N
SMILES OC(=O)\C=C\c1c[nH]cn1
Roles Classification
Chemical Role(s): chromophore
The part (atom or group of atoms) of a molecular entity in which the electronic transition responsible for a given spectral band is approximately localized.
(via urocanic acid )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via urocanic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing trans-urocanic acid (CHEBI:30817) has role human metabolite (CHEBI:77746)
trans-urocanic acid (CHEBI:30817) is a urocanic acid (CHEBI:27248)
trans-urocanic acid (CHEBI:30817) is conjugate acid of trans-urocanate (CHEBI:17771)
Incoming trans-urocanate (CHEBI:17771) is conjugate base of trans-urocanic acid (CHEBI:30817)
IUPAC Name
(2E)-3-(1H-imidazol-4-yl)prop-2-enoic acid
Synonyms Sources
(2E)-3-(1H-imidazol-4-yl)acrylic acid PDBeChem
(E)-3-(1H-imidazol-4-yl)-2-propenoic acid ChemIDplus
trans-urocanic acid ChemIDplus
Urocanic acid KEGG COMPOUND
Database Links Databases
C00785 KEGG COMPOUND
DB01971 DrugBank
HMDB34174 HMDB
RU2445307 Patent
URO PDBeChem
Urocanic_acid Wikipedia
View more database links
Registry Numbers Types Sources
104-98-3 CAS Registry Number KEGG COMPOUND
3465-72-3 CAS Registry Number ChemIDplus
81403 Beilstein Registry Number Beilstein
81403 Reaxys Registry Number Reaxys
81405 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
9724745 PubMed citation CiteXplore
Last Modified
06 February 2014