1-methyl-4-imidazoleacetic acid (CHEBI:1606)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	1-methyl-4-imidazoleacetic acid

ChEBI ID	CHEBI:1606

Definition	A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1-methyl-1H-imidazol-4-yl group.

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

Supplier Information

Download	Molfile XML SDF

more structures >>

Formula

C6H8N2O2

Net Charge

Average Mass

140.140

Monoisotopic Mass

140.05858

InChI

InChI=1S/C6H8N2O2/c1-8-3-5(7-4-8)2-6(9)10/h3-4H,2H2,1H3,(H,9,10)

InChIKey

ZHCKPJGJQOPTLB-UHFFFAOYSA-N

SMILES

OC(=O)CC=1N=CN(C)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):	GABA agonist A drug that binds to and activates gamma-aminobutyric acid receptors. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

Application(s):	GABA agonist A drug that binds to and activates gamma-aminobutyric acid receptors.

ChEBI Ontology
Outgoing	1-methyl-4-imidazoleacetic acid (CHEBI:1606) has functional parent acetic acid (CHEBI:15366) 1-methyl-4-imidazoleacetic acid (CHEBI:1606) has role GABA agonist (CHEBI:51373) 1-methyl-4-imidazoleacetic acid (CHEBI:1606) has role metabolite (CHEBI:25212) 1-methyl-4-imidazoleacetic acid (CHEBI:1606) is a imidazoles (CHEBI:24780) 1-methyl-4-imidazoleacetic acid (CHEBI:1606) is a monocarboxylic acid (CHEBI:25384) 1-methyl-4-imidazoleacetic acid (CHEBI:1606) is conjugate acid of 1-methyl-4-imidazoleacetate (CHEBI:132918)

Incoming	1-methyl-4-imidazoleacetate (CHEBI:132918) is conjugate base of 1-methyl-4-imidazoleacetic acid (CHEBI:1606)

IUPAC Name

(1-methyl-1H-imidazol-4-yl)acetic acid

Synonyms	Sources
1,4-methyl-imidazoleacetic acid	HMDB
1-Methylimidazole-4-acetate	KEGG COMPOUND
Methylimidazoleacetate	KEGG COMPOUND
Methylimidazoleacetic acid	KEGG COMPOUND
Tele-methylimidazoleacetic acid	KEGG COMPOUND

Last Modified

08 February 2017