CHEBI:70966 - 1-methyl-5-imidazoleacetic acid

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ChEBI Name 1-methyl-5-imidazoleacetic acid
ChEBI ID CHEBI:70966
Definition An imidazolyl carboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 1-methylimidazol-5-yl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000059211766
Download Molfile XML SDF
Formula C6H8N2O2
Net Charge 0
Average Mass 140.140
Monoisotopic Mass 140.05858
InChI InChI=1S/C6H8N2O2/c1-8-4-7-3-5(8)2-6(9)10/h3-4H,2H2,1H3,(H,9,10)
InChIKey UJCGYTCAMOHYCG-UHFFFAOYSA-N
SMILES N1=CN(C(=C1)CC(=O)O)C
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-methyl-5-imidazoleacetic acid (CHEBI:70966) has role metabolite (CHEBI:25212)
1-methyl-5-imidazoleacetic acid (CHEBI:70966) is a imidazolyl carboxylic acid (CHEBI:38307)
IUPAC Name
(1-methyl-1H-imidazol-5-yl)acetic acid
Synonyms Sources
1-methyl-Imidazole-5-acetic acid HMDB
Π-Methylimidazoleacetic acid HMDB
Pros-methylimidazoleacetic acid ChemIDplus
Manual Xref Database
HMDB0004988 HMDB
View more database links
Registry Numbers Types Sources
120665 Reaxys Registry Number Reaxys
4200-48-0 CAS Registry Number ChemIDplus
Citations
Last Modified
08 February 2017