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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (R)-2-benzylsuccinic acid
ChEBI ID CHEBI:41241
ChEBI ASCII Name (R)-2-benzylsuccinic acid
Definition The (R)-enantiomer of 2-benzylsuccinic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:41240, CHEBI:10969
Supplier Information
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Formula C11H12O4
Net Charge 0
Average Mass 208.21058
Monoisotopic Mass 208.07356
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)/t9-/m1/s1
InChIKey GTOFKXZQQDSVFH-SECBINFHSA-N
SMILES OC(=O)C[C@@H](Cc1ccccc1)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): 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.
(via 2-benzylsuccinic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 Sources
(2R)-2-benzylsuccinic acid IUPAC
(R)-2-Benzylsuccinate KEGG COMPOUND
L-BENZYLSUCCINIC ACID PDBeChem
Manual Xrefs Databases
BENZYLSUCCINATE MetaCyc
BZS PDBeChem
C09816 KEGG COMPOUND
DB07506 DrugBank
HMDB0012127 HMDB
View more database links
Registry Numbers Types Sources
3203120 Beilstein Registry Number Beilstein
3203120 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
762086 PubMed citation Europe PMC
Last Modified
28 July 2014