KEGG   COMPOUND: C09816Help
Entry
C09816                      Compound                               

Name
Benzylsuccinate;
(R)-2-Benzylsuccinate
Formula
C11H12O4
Exact mass
208.0736
Mol weight
208.2106
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Toluene degradation
Metabolic pathways
Microbial metabolism in diverse environments
Degradation of aromatic compounds
Module
M00418  
Toluene degradation, anaerobic, toluene => benzoyl-CoA
Enzyme
2.8.3.15        4.1.99.11
Other DBs
PubChem: 
ChEBI: 
PDB-CCD: 
NIKKAJI: 
KCF data Show

ATOM        15
            1   C1c C    25.9078  -19.2990
            2   C1b C    24.6962  -19.9954
            3   C1b C    25.9078  -17.8943
            4   C6a C    27.1193  -20.0013
            5   C8y C    24.6903  -21.3942
            6   C6a C    24.6962  -17.1977
            7   O6a O    27.1193  -21.4001
            8   O6a O    28.3309  -19.2990
            9   C8x C    23.4787  -22.0965
            10  C8x C    25.9018  -22.0965
            11  O6a O    23.4846  -17.8943
            12  O6a O    24.6962  -15.7929
            13  C8x C    23.4787  -23.4955
            14  C8x C    25.9018  -23.4955
            15  C8x C    24.6903  -24.1978
BOND        15
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    6  12 2
            12    9  13 2
            13   10  14 1
            14   13  15 1
            15   14  15 2

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