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

Supplier Information	No supplier information found for this compound.

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Wikipedia	License
tert-Butyl hydroperoxide (tBuOOH) is the organic compound with the formula (CH3)3COOH. It is one of the most widely used hydroperoxides in a variety of oxidation processes, like the Halcon process. It is normally supplied as a 69–70% aqueous solution. Compared to hydrogen peroxide and organic peracids, tert-butyl hydroperoxide is less reactive and more soluble in organic solvents. Overall, it is renowned for the convenient handling properties of its solutions. Its solutions in organic solvents are highly stable.
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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