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CHEBI:188358 - (S)-2-benzylsuccinate

ChEBI IDCHEBI:188358
ChEBI Name(S)-2-benzylsuccinate
Stars
ASCII Name(S)-2-benzylsuccinate
SubmitterKristian Axelsen
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-/m0/s1
InChIKeyGTOFKXZQQDSVFH-VIFPVBQESA-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)
(S)-2-benzylsuccinate (CHEBI:188358) is a 2-benzylsuccinate(2−) (CHEBI:57621)
(S)-2-benzylsuccinate (CHEBI:188358) is a dicarboxylic acid dianion (CHEBI:28965)
(S)-2-benzylsuccinate (CHEBI:188358) is enantiomer of (R)-2-benzylsuccinate (CHEBI:58692)
Incoming Relation(s)
(R)-2-benzylsuccinate (CHEBI:58692) is enantiomer of (S)-2-benzylsuccinate (CHEBI:188358)
UniProt Name  Source
(S)-2-benzylsuccinateUniProt