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CHEBI:59013 - 3-(imidazol-4-yl)pyruvic acid

Default Structure
ChEBI IDCHEBI:59013
ChEBI Name3-(imidazol-4-yl)pyruvic acid
Stars
DefinitionA pyruvic acid having a 1H-imidazol-4-yl substituent at the 3-position.
Last Modified3 March 2010
SubmitterSteve
DownloadsMolfile
FormulaC6H6N2O3
Net Charge0
Average Mass154.125
Monoisotopic Mass154.03784
SMILESO=C(O)C(=O)Cc1cncn1
InChIInChI=1S/C6H6N2O3/c9-5(6(10)11)1-4-2-7-3-8-4/h2-3H,1H2,(H,7,8)(H,10,11)
InChIKeyJEJNWEREQWMOHB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-(imidazol-4-yl)pyruvic acid (CHEBI:59013) has functional parent pyruvic acid (CHEBI:32816)
3-(imidazol-4-yl)pyruvic acid (CHEBI:59013) is a 2-oxo monocarboxylic acid (CHEBI:35910)
3-(imidazol-4-yl)pyruvic acid (CHEBI:59013) is a imidazoles (CHEBI:24780)
IUPAC Name 
3-(1H-imidazol-4-yl)-2-oxopropanoic acid
Registry NumbersSources
Beilstein:6531Beilstein