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CHEBI:41241 - (R)-2-benzylsuccinic acid

ChEBI IDCHEBI:41241
ChEBI Name(R)-2-benzylsuccinic acid
Stars
ASCII Name(R)-2-benzylsuccinic acid
DefinitionThe (R)-enantiomer of 2-benzylsuccinic acid.
Secondary ChEBI IDsCHEBI:10969, CHEBI:41240
Last Modified28 July 2014
DownloadsMolfile
FormulaC11H12O4
Net Charge0
Average Mass208.213
Monoisotopic Mass208.07356
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)/t9-/m1/s1
InChIKeyGTOFKXZQQDSVFH-SECBINFHSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
(R)-2-benzylsuccinic acid (CHEBI:41241) has role xenobiotic metabolite (CHEBI:76206)
(R)-2-benzylsuccinic acid (CHEBI:41241) is a 2-benzylsuccinic acid (CHEBI:16054)
IUPAC Name 
(2R)-2-benzylbutanedioic acid
Synonyms  Source
(2R)-2-benzylsuccinic acidIUPAC
L-BENZYLSUCCINIC ACIDPDBeChem
(R)-2-BenzylsuccinateKEGG COMPOUND
Manual XrefsDatabases
BZSPDBeChem
DB07506DrugBank
BENZYLSUCCINATEMetaCyc
C09816KEGG COMPOUND
HMDB0012127HMDB
Registry NumbersSources
Beilstein:3203120Beilstein
Reaxys:3203120Reaxys
Citations