trans-urocanic acid (CHEBI:30817)

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ChEBI Name	trans-urocanic acid

ChEBI ID	CHEBI:30817

ChEBI ASCII Name	trans-urocanic acid

Definition	A urocanic acid in which the double bond of the carboxyethene moiety has E configuration.

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

Average Mass

138.124

Monoisotopic Mass

138.04293

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

C(\C=1N=CNC1)=C/C(=O)O

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 )

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

Citation	Type	Source
9724745	PubMed citation	Europe PMC

Last Modified

09 February 2017