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CHEBI:44788 - 2-succinylbenzoic acid

ChEBI IDCHEBI:44788
ChEBI Name2-succinylbenzoic acid
Stars
Secondary ChEBI IDsCHEBI:37026, CHEBI:44787
Last Modified28 July 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H10O5
Net Charge0
Average Mass222.196
Monoisotopic Mass222.05282
SMILESO=C(O)CCC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C11H10O5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)
InChIKeyYIVWQNVQRXFZJB-UHFFFAOYSA-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)
2-succinylbenzoic acid (CHEBI:44788) has functional parent benzoic acid (CHEBI:30746)
2-succinylbenzoic acid (CHEBI:44788) is a dicarboxylic acid (CHEBI:35692)
2-succinylbenzoic acid (CHEBI:44788) is conjugate acid of 2-succinatobenzoate (CHEBI:18325)
Incoming Relation(s)
4-(2-carboxyphenyl)-4-oxobutanoyl-CoA (CHEBI:15509) has functional parent 2-succinylbenzoic acid (CHEBI:44788)
2-succinatobenzoate (CHEBI:18325) is conjugate base of 2-succinylbenzoic acid (CHEBI:44788)
IUPAC Name 
2-(3-carboxypropanoyl)benzoic acid
Synonyms  Source
o-succinylbenzoic acidChemIDplus
4-(2'-carboxyphenyl)-4-oxobutyric acidChemIDplus
2-(3-carboxypropionyl)benzoic acidChEBI
2-SUCCINYLBENZOATEPDBeChem
o-SuccinylbenzoateKEGG COMPOUND
SuccinylbenzoateKEGG COMPOUND
Manual XrefsDatabases
OSBPDBeChem
C02730KEGG COMPOUND
C00000743KNApSAcK
Registry NumbersSources
Beilstein:2696599Beilstein
CAS:27415-09-4ChemIDplus