| Entry |
|
|---|
| Name |
Benzylsuccinate;
(R)-2-Benzylsuccinate
|
|---|
| Formula |
C11H12O4
|
|---|
| Exact mass |
208.0736
|
|---|
| Mol weight |
208.2106
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01120 | Microbial metabolism in diverse environments |
| map01220 | Degradation of aromatic compounds |
|
|---|
| Module |
| M00418 | Toluene degradation, anaerobic, toluene => benzoyl-CoA |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| KCF data |
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
|
|---|
