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CHEBI:16974 - imidazol-4-ylacetic acid

ChEBI IDCHEBI:16974
ChEBI Nameimidazol-4-ylacetic acid
Stars
DefinitionA monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-4-yl group.
Secondary ChEBI IDsCHEBI:5875, CHEBI:12017, CHEBI:14435, CHEBI:24776, CHEBI:24777
Last Modified8 February 2017
DownloadsMolfile
FormulaC5H6N2O2
Net Charge0
Average Mass126.115
Monoisotopic Mass126.04293
SMILESO=C(O)Cc1cncn1
InChIInChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)
InChIKeyPRJKNHOMHKJCEJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
imidazol-4-ylacetic acid (CHEBI:16974) has functional parent acetic acid (CHEBI:15366)
imidazol-4-ylacetic acid (CHEBI:16974) has role mouse metabolite (CHEBI:75771)
imidazol-4-ylacetic acid (CHEBI:16974) is a imidazoles (CHEBI:24780)
imidazol-4-ylacetic acid (CHEBI:16974) is a monocarboxylic acid (CHEBI:25384)
imidazol-4-ylacetic acid (CHEBI:16974) is conjugate acid of imidazol-4-ylacetate (CHEBI:57969)
imidazol-4-ylacetic acid (CHEBI:16974) is tautomer of 2H-imidazol-4-ylacetic acid (CHEBI:43615)
imidazol-4-ylacetic acid (CHEBI:16974) is tautomer of imidazol-5-ylacetic acid (CHEBI:70804)
Incoming Relation(s)
imidazol-4-ylacetate (CHEBI:57969) is conjugate base of imidazol-4-ylacetic acid (CHEBI:16974)
2H-imidazol-4-ylacetic acid (CHEBI:43615) is tautomer of imidazol-4-ylacetic acid (CHEBI:16974)
imidazol-5-ylacetic acid (CHEBI:70804) is tautomer of imidazol-4-ylacetic acid (CHEBI:16974)
IUPAC Name 
1H-imidazol-4-ylacetic acid
Synonyms  Source
1H-Imidazole-4-acetic acidChemIDplus
4(5)-ImidazoleacetateChemIDplus
4-ImidazoleacetateKEGG COMPOUND
Imidazole-4-acetateKEGG COMPOUND
Imidazoleacetic acidKEGG COMPOUND
Manual XrefsDatabases
4-IMIDAZOLEACETATEMetaCyc
C02835KEGG COMPOUND
HMDB0002024HMDB
Registry NumbersSources
Reaxys:3478Reaxys
CAS:645-65-8KEGG COMPOUND
CAS:645-65-8ChemIDplus
Citations