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CHEBI:57621 - 2-benzylsuccinate(2−)

ChEBI IDCHEBI:57621
ChEBI Name2-benzylsuccinate(2−)
Stars
ASCII Name2-benzylsuccinate(2-)
DefinitionA dicarboxylic acid dianion that is the conjugate base of 2-benzylsuccinic acid.
Last Modified13 December 2021
DownloadsMolfile
FormulaC11H10O4
Net Charge-2
Average Mass206.197
Monoisotopic Mass206.05901
SMILESO=C([O-])CC(Cc1ccccc1)C(=O)[O-]
InChIInChI=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
InChIKeyGTOFKXZQQDSVFH-UHFFFAOYSA-L
Roles Classification
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(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  Source
2-benzylsuccinate dianionChEBI
2-benzylsuccinateChEBI
UniProt Name  Source
2-benzylsuccinateUniProt
Registry NumbersSources
Beilstein:11518482Beilstein
Reaxys:18598205Reaxys