EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:15612 - trans-2-carboxybenzylidenepyruvic acid

ChEBI IDCHEBI:15612
ChEBI Nametrans-2-carboxybenzylidenepyruvic acid
Stars
ASCII Nametrans-2-carboxybenzylidenepyruvic acid
DefinitionA 4-(2-carboxyphenyl)-2-oxobut-3-enoic acid where the C=C double bond has (E)-configuration.
Secondary ChEBI IDsCHEBI:194, CHEBI:10877, CHEBI:18557
Last Modified31 January 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H8O5
Net Charge0
Average Mass220.180
Monoisotopic Mass220.03717
SMILESO=C(O)C(=O)/C=C/c1ccccc1C(=O)O
InChIInChI=1S/C11H8O5/c12-9(11(15)16)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,13,14)(H,15,16)/b6-5+
InChIKeyAPKXMKWCGDBYNV-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)
trans-2-carboxybenzylidenepyruvic acid (CHEBI:15612) is a 4-(2-carboxyphenyl)-2-oxobut-3-enoic acid (CHEBI:49223)
IUPAC Name 
2-[(1E)-3-carboxy-3-oxoprop-1-en-1-yl]benzoic acid
Synonyms  Source
(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoateKEGG COMPOUND
trans-2'-CarboxybenzalpyruvateKEGG COMPOUND
(3E)-4-(2-carboxyphenyl)-2-oxobut-3-enoic acidChEBI
Manual XrefsDatabases
C01275KEGG COMPOUND