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CHEBI:70801 - imidazol-1-ylacetic acid

ChEBI IDCHEBI:70801
ChEBI Nameimidazol-1-ylacetic acid
Stars
DefinitionAn imidazolyl carboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by an imidazol-1-yl group.
Last Modified5 March 2020
Submittermwilliams
DownloadsMolfile
FormulaC5H6N2O2
Net Charge0
Average Mass126.115
Monoisotopic Mass126.04293
SMILESO=C(O)Cn1ccnc1
InChIInChI=1S/C5H6N2O2/c8-5(9)3-7-2-1-6-4-7/h1-2,4H,3H2,(H,8,9)
InChIKeyQAFBDRSXXHEXGB-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-1-ylacetic acid (CHEBI:70801) has functional parent acetic acid (CHEBI:15366)
imidazol-1-ylacetic acid (CHEBI:70801) has role metabolite (CHEBI:25212)
imidazol-1-ylacetic acid (CHEBI:70801) is a imidazolyl carboxylic acid (CHEBI:38307)
IUPAC Name 
1H-imidazol-1-ylacetic acid
Synonym  Source
2-(imidazol-1-yl)acetic acidChEBI
Manual XrefsDatabases
HMDB0029736HMDB
Registry NumbersSources
Reaxys:112120Reaxys
Citations