EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:34282 - 2-Hydroxy-4-hydroxymethylbenzalpyruvate

ChEBI IDCHEBI:34282
ChEBI Name2-Hydroxy-4-hydroxymethylbenzalpyruvate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC11H10O5
Net Charge0
Average Mass222.196
Monoisotopic Mass222.05282
SMILESO=C(O)C(=O)/C=C\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)/b4-3-
InChIKeyOQOCDFNWSBHKBA-ARJAWSKDSA-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-hydroxymethylbenzalpyruvate (CHEBI:34282) is a hydroxycinnamic acid (CHEBI:24689)
Synonym  Source
2-Hydroxy-4-hydroxymethylbenzalpyruvateKEGG COMPOUND
Manual XrefsDatabases
C14107KEGG COMPOUND