2H-imidazol-4-ylacetic acid (CHEBI:43615)

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ChEBI Name	2H-imidazol-4-ylacetic acid

ChEBI ID	CHEBI:43615

ChEBI ASCII Name	2H-imidazol-4-ylacetic acid

Definition	An imidazolyl carboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 2H-imidazol-4-yl group.

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

Supplier Information

Download	Molfile XML SDF

Formula

C5H6N2O2

Net Charge

Average Mass

126.11330

Monoisotopic Mass

126.04293

InChI

InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2H,1,3H2,(H,8,9)

InChIKey

RMEAVYUMFHJQAD-UHFFFAOYSA-N

SMILES

OC(=O)CC1=NCN=C1

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	2H-imidazol-4-ylacetic acid (CHEBI:43615) has functional parent acetic acid (CHEBI:15366) 2H-imidazol-4-ylacetic acid (CHEBI:43615) has role metabolite (CHEBI:25212) 2H-imidazol-4-ylacetic acid (CHEBI:43615) is a imidazoles (CHEBI:24780) 2H-imidazol-4-ylacetic acid (CHEBI:43615) is a monocarboxylic acid (CHEBI:25384) 2H-imidazol-4-ylacetic acid (CHEBI:43615) is tautomer of imidazol-4-ylacetic acid (CHEBI:16974) 2H-imidazol-4-ylacetic acid (CHEBI:43615) is tautomer of imidazol-5-ylacetic acid (CHEBI:70804)

Incoming	imidazol-4-ylacetic acid (CHEBI:16974) is tautomer of 2H-imidazol-4-ylacetic acid (CHEBI:43615) imidazol-5-ylacetic acid (CHEBI:70804) is tautomer of 2H-imidazol-4-ylacetic acid (CHEBI:43615)

IUPAC Name

2H-imidazol-4-ylacetic acid

Synonym	Source
2-(2H-imidazol-4-yl)ethanoic acid	PDBeChem

Citation	Type	Source
22770225	PubMed citation	Europe PMC

Last Modified

05 March 2020