CHEBI:58794 - (3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoate(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoate(2−)
ChEBI ID CHEBI:58794
ChEBI ASCII Name (3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoate(2-)
Definition Dicarboxylate anion of (3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C11H6O5
Net Charge -2
Average Mass 218.16230
Monoisotopic Mass 218.02262
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)/p-2/b6-5-
InChIKey APKXMKWCGDBYNV-WAYWQWQTSA-L
SMILES [O-]C(=O)C(=O)\C=C/c1ccccc1C([O-])=O
ChEBI Ontology
Outgoing (3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoate(2−) (CHEBI:58794) is a oxo dicarboxylic acid dianion (CHEBI:133294)
(3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoate(2−) (CHEBI:58794) is conjugate base of (3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoic acid (CHEBI:49222)
Incoming (3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoic acid (CHEBI:49222) is conjugate acid of (3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoate(2−) (CHEBI:58794)
IUPAC Name
2-[(1Z)-3-carboxylato-3-oxoprop-1-en-1-yl]benzoate
Synonym Source
(3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoate UniProt
Last Modified
12 June 2021