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CHEBI:59354 - (3E)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid

ChEBI IDCHEBI:59354
ChEBI Name(3E)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid
Stars
ASCII Name(3E)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid
DefinitionA pyruvic acid derivative having a 2-hydroxybenzylidene group attached at the 3-position and E-stereochemistry.
Last Modified28 July 2014
SubmitterSteve
DownloadsMolfile
FormulaC10H8O4
Net Charge0
Average Mass192.170
Monoisotopic Mass192.04226
SMILESO=C(O)C(=O)/C=C/c1ccccc1O
InChIInChI=1S/C10H8O4/c11-8-4-2-1-3-7(8)5-6-9(12)10(13)14/h1-6,11H,(H,13,14)/b6-5+
InChIKeyHMXOGGUFCBUALL-AATRIKPKSA-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)
(3E)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid (CHEBI:59354) has functional parent pyruvic acid (CHEBI:32816)
(3E)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid (CHEBI:59354) is a 2-oxo monocarboxylic acid (CHEBI:35910)
(3E)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid (CHEBI:59354) is conjugate acid of (3E)-4-(2-hydroxyphenyl)-2-oxobut-3-enoate (CHEBI:59353)
Incoming Relation(s)
(3E)-4-(2-hydroxyphenyl)-2-oxobut-3-enoate (CHEBI:59353) is conjugate base of (3E)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid (CHEBI:59354)
IUPAC Name 
(3E)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid
Synonyms  Source
4-(2-Hydroxyphenyl)-2-oxo-3-butenoic acidChemIDplus
ortho-HydroxybenzalpyruvateChemIDplus
2-HydroxybenzalpyruvateChemIDplus
(3E)-4-(2-Hydroxyphenyl)-2-oxobut-3-enoateKEGG COMPOUND
Manual XrefsDatabases
DB08636DrugBank
C06203KEGG COMPOUND
Registry NumbersSources
Beilstein:2692063Beilstein
CAS:90293-62-2ChemIDplus