EMBL-EBI | Chemical Biology | ChEBI

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

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

ChEBI IDCHEBI:49222
ChEBI Name(3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoic acid
Stars
ASCII Name(3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoic acid
DefinitionThe (Z)-isomer of 4-(2-carboxyphenyl)-2-oxobut-3-enoic acid.
Last Modified1 July 2010
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-WAYWQWQTSA-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)
(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 Relation(s)
(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  Source
cis-2'-CarboxybenzalpyruvateKEGG COMPOUND
(3Z)-4-(2-Carboxyphenyl)-2-oxobut-3-enoateKEGG COMPOUND
Manual XrefsDatabases
C16149KEGG COMPOUND