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CHEBI:43615 - 2H-imidazol-4-ylacetic acid

ChEBI IDCHEBI:43615
ChEBI Name2H-imidazol-4-ylacetic acid
Stars
ASCII Name2H-imidazol-4-ylacetic acid
DefinitionAn imidazolyl carboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 2H-imidazol-4-yl group.
Last Modified5 March 2020
DownloadsMolfile
FormulaC5H6N2O2
Net Charge0
Average Mass126.115
Monoisotopic Mass126.04293
SMILESO=C(O)CC1=NCN=C1
InChIInChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2H,1,3H2,(H,8,9)
InChIKeyRMEAVYUMFHJQAD-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)
2H-imidazol-4-ylacetic acid (CHEBI:43615) has functional parent acetic acid (CHEBI:15366)
2H-imidazol-4-ylacetic acid (CHEBI:43615) has role metabolite (CHEBI:25212)
2H-imidazol-4-ylacetic acid (CHEBI:43615) is a imidazoles (CHEBI:24780)
2H-imidazol-4-ylacetic acid (CHEBI:43615) is a monocarboxylic acid (CHEBI:25384)
2H-imidazol-4-ylacetic acid (CHEBI:43615) is tautomer of imidazol-4-ylacetic acid (CHEBI:16974)
2H-imidazol-4-ylacetic acid (CHEBI:43615) is tautomer of imidazol-5-ylacetic acid (CHEBI:70804)
Incoming Relation(s)
imidazol-4-ylacetic acid (CHEBI:16974) is tautomer of 2H-imidazol-4-ylacetic acid (CHEBI:43615)
imidazol-5-ylacetic acid (CHEBI:70804) is tautomer of 2H-imidazol-4-ylacetic acid (CHEBI:43615)
IUPAC Name 
2H-imidazol-4-ylacetic acid
Synonym  Source
2-(2H-imidazol-4-yl)ethanoic acidPDBeChem
Manual XrefsDatabases
IZCPDBeChem
Citations