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CHEBI:19602 - 2-hydroxy-3-carboxybenzylidenepyruvic acid

ChEBI IDCHEBI:19602
ChEBI Name2-hydroxy-3-carboxybenzylidenepyruvic acid
Stars
DefinitionAn oxo dicarboxylic acid consisting of pyruvic acid having a 2-hydroxy-3-carboxybenzylidene group at the 3-position.
Last Modified3 August 2014
DownloadsMolfile
FormulaC11H8O6
Net Charge0
Average Mass236.179
Monoisotopic Mass236.03209
SMILESO=C(O)C(=O)/C=C/c1cccc(C(=O)O)c1O
InChIInChI=1S/C11H8O6/c12-8(11(16)17)5-4-6-2-1-3-7(9(6)13)10(14)15/h1-5,13H,(H,14,15)(H,16,17)/b5-4+
InChIKeyNCSHNHYNPKPIAU-SNAWJCMRSA-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)
2-hydroxy-3-carboxybenzylidenepyruvic acid (CHEBI:19602) has functional parent pyruvic acid (CHEBI:32816)
2-hydroxy-3-carboxybenzylidenepyruvic acid (CHEBI:19602) is a oxo dicarboxylic acid (CHEBI:36145)
IUPAC Name 
3-[(1E)-3-carboxy-3-oxoprop-1-en-1-yl]-2-hydroxybenzoic acid
Synonyms  Source
3-carboxy-2-hydroxybenzyalpyruvic acidChEBI
2-hydroxy-3-carboxybenzalpyruvic acidChEBI
3-carboxy-2-hydroxybenzylidenepyruvic acidChEBI
3-(3-Carboxy-3-oxo-1-propenyl)-2-hydroxy-benzoic acidKEGG COMPOUND
Manual XrefsDatabases
C14095KEGG COMPOUND
Registry NumbersSources
CAS:162794-83-4KEGG COMPOUND