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CHEBI:58692 - (R)-2-benzylsuccinate

ChEBI IDCHEBI:58692
ChEBI Name(R)-2-benzylsuccinate
Stars
ASCII Name(R)-2-benzylsuccinate
DefinitionDicarboxylate anion of (R)-2-benzylsuccinic acid.
Last Modified13 December 2021
DownloadsMolfile
FormulaC11H10O4
Net Charge-2
Average Mass206.197
Monoisotopic Mass206.05901
SMILESO=C([O-])C[C@@H](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/t9-/m1/s1
InChIKeyGTOFKXZQQDSVFH-SECBINFHSA-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)
(R)-2-benzylsuccinate (CHEBI:58692) is a 2-benzylsuccinate(2−) (CHEBI:57621)
(R)-2-benzylsuccinate (CHEBI:58692) is a dicarboxylic acid dianion (CHEBI:28965)
(R)-2-benzylsuccinate (CHEBI:58692) is conjugate base of 2-benzylsuccinic acid (CHEBI:16054)
(R)-2-benzylsuccinate (CHEBI:58692) is enantiomer of (S)-2-benzylsuccinate (CHEBI:188358)
Incoming Relation(s)
2-benzylsuccinic acid (CHEBI:16054) is conjugate acid of (R)-2-benzylsuccinate (CHEBI:58692)
(S)-2-benzylsuccinate (CHEBI:188358) is enantiomer of (R)-2-benzylsuccinate (CHEBI:58692)
IUPAC Name 
(2R)-2-benzylbutanedioate
UniProt Name  Source
(R)-2-benzylsuccinateUniProt