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

ChEBI IDCHEBI:70966
ChEBI Name1-methyl-5-imidazoleacetic acid
Stars
DefinitionAn imidazolyl carboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 1-methylimidazol-5-yl group.
Last Modified8 February 2017
Submittermwilliams
DownloadsMolfile
FormulaC6H8N2O2
Net Charge0
Average Mass140.142
Monoisotopic Mass140.05858
SMILESCn1cncc1CC(=O)O
InChIInChI=1S/C6H8N2O2/c1-8-4-7-3-5(8)2-6(9)10/h3-4H,2H2,1H3,(H,9,10)
InChIKeyUJCGYTCAMOHYCG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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  Source
Π-Methylimidazoleacetic acidHMDB
1-methyl-Imidazole-5-acetic acidHMDB
Pros-methylimidazoleacetic acidChemIDplus
Manual XrefsDatabases
HMDB0004988HMDB
Registry NumbersSources
Reaxys:120665Reaxys
CAS:4200-48-0ChemIDplus
Citations