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Definition	A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-5-yl group.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	No supplier information found for this compound.

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