CHEBI:49222 - (3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoic acid
ChEBI ID CHEBI:49222
ChEBI ASCII Name (3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoic acid
Definition The (Z)-isomer of 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 C11H8O5
Net Charge 0
Average Mass 220.17822
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-WAYWQWQTSA-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 (3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoic acid (CHEBI:49222) is a 4-(2-carboxyphenyl)-2-oxobut-3-enoic acid (CHEBI:49223)
(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)
Incoming (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)
IUPAC Name
2-[(1Z)-3-carboxy-3-oxoprop-1-en-1-yl]benzoic acid
Synonyms Sources
(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate KEGG COMPOUND
cis-2'-Carboxybenzalpyruvate KEGG COMPOUND
Manual Xref Database
C16149 KEGG COMPOUND
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Last Modified
01 July 2010