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> Main
CHEBI:41241 - (
R
)-2-benzylsuccinic acid
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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 (Br
o
nsted 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
(2
R
)-2-benzylbutanedioic acid
Synonyms
Sources
(2
R
)-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
Type
Source
762086
PubMed citation
Europe PMC
Last Modified
28 July 2014