urocanic acid (CHEBI:27248)

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ChEBI Name	urocanic acid

ChEBI ID	CHEBI:27248

Definition	An 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	No supplier information found for this compound.

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Formula

C6H6N2O2

Net Charge

Average Mass

138.12412

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)

InChIKey

LOIYMIARKYCTBW-UHFFFAOYSA-N

SMILES

[H]C(=C([H])c1c[nH]cn1)C(O)=O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	See: PubMed

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. 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).

ChEBI Ontology
Outgoing	urocanic acid (CHEBI:27248) has role chromophore (CHEBI:23240) urocanic acid (CHEBI:27248) has role human metabolite (CHEBI:77746) urocanic acid (CHEBI:27248) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) urocanic acid (CHEBI:27248) is a imidazoles (CHEBI:24780) urocanic acid (CHEBI:27248) is conjugate acid of urocanate (CHEBI:27247)

Incoming	cis-urocanic acid (CHEBI:30818) is a urocanic acid (CHEBI:27248) trans-urocanic acid (CHEBI:30817) is a urocanic acid (CHEBI:27248) urocanate (CHEBI:27247) is conjugate base of urocanic acid (CHEBI:27248)

IUPAC Name

3-(1H-imidazol-4-yl)prop-2-enoic acid

Citations

Last Modified

18 April 2024