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CHEBI:70806 - imidazol-2-ylacetic acid

ChEBI IDCHEBI:70806
ChEBI Nameimidazol-2-ylacetic acid
Stars
DefinitionA monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-2-yl group.
Last Modified9 February 2017
Submittermwilliams
DownloadsMolfile
FormulaC5H6N2O2
Net Charge0
Average Mass126.115
Monoisotopic Mass126.04293
SMILESO=C(O)Cc1nccn1
InChIInChI=1S/C5H6N2O2/c8-5(9)3-4-6-1-2-7-4/h1-2H,3H2,(H,6,7)(H,8,9)
InChIKeyWUJUYHMGDPTLMG-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)
imidazol-2-ylacetic acid (CHEBI:70806) has functional parent acetic acid (CHEBI:15366)
imidazol-2-ylacetic acid (CHEBI:70806) has role metabolite (CHEBI:25212)
imidazol-2-ylacetic acid (CHEBI:70806) is a imidazoles (CHEBI:24780)
imidazol-2-ylacetic acid (CHEBI:70806) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
1H-imidazol-2-ylacetic acid
Registry NumbersSources
Reaxys:9189336Reaxys
Citations