CHEBI:57621 - 2-benzylsuccinate(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-benzylsuccinate(2−)
ChEBI ID CHEBI:57621
ChEBI ASCII Name 2-benzylsuccinate(2-)
Definition A dicarboxylic acid dianion that is the conjugate base of 2-benzylsuccinic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C11H10O4
Net Charge -2
Average Mass 206.19470
Monoisotopic Mass 206.05901
InChI InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/p-2
InChIKey GTOFKXZQQDSVFH-UHFFFAOYSA-L
SMILES [O-]C(=O)CC(Cc1ccccc1)C([O-])=O
Roles Classification
Biological Role(s): bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-benzylsuccinate(2−) (CHEBI:57621) has functional parent succinate(2−) (CHEBI:30031)
2-benzylsuccinate(2−) (CHEBI:57621) has role bacterial xenobiotic metabolite (CHEBI:76976)
2-benzylsuccinate(2−) (CHEBI:57621) is a dicarboxylic acid dianion (CHEBI:28965)
2-benzylsuccinate(2−) (CHEBI:57621) is conjugate base of 2-benzylsuccinic acid (CHEBI:16054)
Incoming (R)-2-benzylsuccinate (CHEBI:58692) is a 2-benzylsuccinate(2−) (CHEBI:57621)
(S)-2-benzylsuccinate (CHEBI:188358) is a 2-benzylsuccinate(2−) (CHEBI:57621)
2-benzylsuccinic acid (CHEBI:16054) is conjugate acid of 2-benzylsuccinate(2−) (CHEBI:57621)
IUPAC Name
2-benzylbutanedioate
Synonyms Sources
2-benzylsuccinate UniProt
2-benzylsuccinate ChEBI
2-benzylsuccinate dianion ChEBI
Registry Numbers Types Sources
11518482 Beilstein Registry Number Beilstein
18598205 Reaxys Registry Number Reaxys
Last Modified
13 December 2021