imidazol-5-ylacetic acid (CHEBI:70804)

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ChEBI Name	imidazol-5-ylacetic acid

ChEBI ID	CHEBI:70804

Definition	A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-5-yl group.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/h2-3H,1H2,(H,6,7)(H,8,9)

InChIKey

PRJKNHOMHKJCEJ-UHFFFAOYSA-N

SMILES

OC(=O)Cc1cnc[nH]1

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

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

IUPAC Name

1H-imidazol-5-ylacetic acid

Synonym	Source
2-(1H-imidazole-5-yl)acetic acid	ChEBI

Registry Number	Type	Source
607317	Reaxys Registry Number	Reaxys

Citation	Type	Source
22770225	PubMed citation	Europe PMC

Last Modified

09 February 2017