CHEBI:15612 - trans-2-carboxybenzylidenepyruvic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name trans-2-carboxybenzylidenepyruvic acid
ChEBI ID CHEBI:15612
ChEBI ASCII Name trans-2-carboxybenzylidenepyruvic acid
Definition A 4-(2-carboxyphenyl)-2-oxobut-3-enoic acid where the C=C double bond has (E)-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:194, CHEBI:10877, CHEBI:18557
Supplier Information
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Formula C11H8O5
Net Charge 0
Average Mass 220.17820
Monoisotopic Mass 220.03717
InChI InChI=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+
InChIKey APKXMKWCGDBYNV-AATRIKPKSA-N
SMILES OC(=O)C(=O)\C=C\c1ccccc1C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate KEGG COMPOUND
(3E)-4-(2-carboxyphenyl)-2-oxobut-3-enoic acid ChEBI
trans-2'-Carboxybenzalpyruvate KEGG COMPOUND
Manual Xref Database
C01275 KEGG COMPOUND
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Last Modified
31 January 2019