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CHEBI:19610 - 2-hydroxy-4-hydroxymethylbenzylidenepyruvic acid

ChEBI IDCHEBI:19610
ChEBI Name2-hydroxy-4-hydroxymethylbenzylidenepyruvic acid
Stars
DefinitionA 2-oxo monocarboxylic acid that results from the formal aldol condensation of the methyl group of pyruvic acid with the aldehyde group of 2-hydroxy-4-(hydroxymethyl)benzaldehyde.
Last Modified16 February 2011
DownloadsMolfile
FormulaC11H10O5
Net Charge0
Average Mass222.196
Monoisotopic Mass222.05282
SMILES[H]C(=CC(=O)C(=O)O)c1ccc(CO)cc1O
InChIInChI=1S/C11H10O5/c12-6-7-1-2-8(10(14)5-7)3-4-9(13)11(15)16/h1-5,12,14H,6H2,(H,15,16)
InChIKeyOQOCDFNWSBHKBA-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)
2-hydroxy-4-hydroxymethylbenzylidenepyruvic acid (CHEBI:19610) has functional parent pyruvic acid (CHEBI:32816)
2-hydroxy-4-hydroxymethylbenzylidenepyruvic acid (CHEBI:19610) is a 2-oxo monocarboxylic acid (CHEBI:35910)
2-hydroxy-4-hydroxymethylbenzylidenepyruvic acid (CHEBI:19610) is a aromatic primary alcohol (CHEBI:33857)
2-hydroxy-4-hydroxymethylbenzylidenepyruvic acid (CHEBI:19610) is a phenols (CHEBI:33853)
IUPAC Name 
4-[2-hydroxy-4-(hydroxymethyl)phenyl]-2-oxobut-3-enoic acid
Manual XrefsDatabases
c0709UM-BBD