| Entry |
|
|---|
| Name |
(S)-2-Benzoylsuccinyl-CoA;
Benzoylsuccinyl-CoA;
2-Benzoylsuccinyl-CoA
|
|---|
| Formula |
C32H44N7O20P3S
|
|---|
| Exact mass |
971.1575
|
|---|
| Mol weight |
971.7129
|
|---|
| 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 |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 63
1 S2a S 15.1900 -21.7700
2 C1b C 16.3800 -21.0700
3 C1b C 17.6400 -21.7700
4 N1b N 18.8300 -21.0700
5 C5a C 20.0200 -21.7700
6 C1b C 21.2800 -21.0700
7 C1b C 22.4700 -21.7700
8 N1b N 23.6600 -21.0700
9 C5a C 24.9200 -21.7700
10 C1c C 26.1100 -21.0700
11 C1d C 27.3000 -21.7700
12 C1b C 28.4900 -21.0700
13 O2b O 29.7500 -21.7700
14 O5a O 20.0200 -23.1700
15 O5a O 24.9200 -23.1700
16 O1a O 26.1100 -19.6700
17 C1a C 27.3000 -20.3700
18 C1a C 27.3000 -23.1700
19 P1b P 31.1500 -21.7700
20 O1c O 32.5500 -21.7700
21 O1c O 31.1500 -23.1700
22 C1y C 24.6400 -16.8000
23 C1y C 26.0400 -16.8000
24 C1y C 26.4600 -15.4700
25 O2x O 25.3400 -14.6300
26 C1y C 24.2200 -15.4700
27 C1b C 27.7900 -15.0500
28 O1a O 23.8000 -17.9200
29 O2b O 26.8800 -17.9200
30 P1b P 28.2800 -17.9200
31 O1c O 28.2800 -16.5200
32 O1c O 29.6800 -17.9200
33 O1c O 28.2800 -19.3200
34 C8y C 20.0900 -13.6500
35 C8y C 20.0900 -15.0500
36 N4y N 22.5400 -15.0500
37 C8x C 22.5400 -13.6500
38 N5x N 21.2800 -12.9500
39 C8y C 18.9000 -12.9500
40 N5x N 17.6400 -13.6500
41 C8x C 17.6400 -15.0500
42 N5x N 18.9000 -15.7500
43 N1a N 18.9000 -11.5500
44 O2b O 29.7500 -15.4700
45 P1b P 31.1500 -15.4700
46 O1c O 31.1500 -14.0700
47 O1c O 32.5500 -15.4700
48 O2c O 31.1500 -18.6900
49 C5a C 14.0700 -21.1400
50 C1c C 12.9500 -21.7700
51 O5a O 14.0700 -19.8100
52 C5a C 12.9500 -23.1000
53 C1b C 11.8300 -21.1400
54 C8y C 14.0700 -23.7300
55 O5a O 11.7600 -23.7300
56 C6a C 10.6400 -21.7700
57 C8x C 15.1900 -23.1000
58 C8x C 14.0700 -24.9900
59 O6a O 9.5200 -21.1400
60 O6a O 10.6400 -23.1000
61 C8x C 16.3100 -23.7300
62 C8x C 15.1900 -25.6900
63 C8x C 16.3100 -24.9900
BOND 66
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 5 14 2
14 9 15 2
15 10 16 1 #Down
16 11 17 1
17 11 18 1
18 13 19 1
19 19 20 2
20 19 21 1
21 22 23 1
22 23 24 1
23 24 25 1
24 25 26 1
25 22 26 1
26 24 27 1 #Down
27 22 28 1 #Up
28 23 29 1 #Up
29 29 30 1
30 30 31 1
31 30 32 1
32 30 33 2
33 34 35 2
34 35 36 1
35 36 37 1
36 37 38 2
37 34 38 1
38 34 39 1
39 39 40 2
40 40 41 1
41 41 42 2
42 35 42 1
43 39 43 1
44 26 36 1 #Down
45 27 44 1
46 44 45 1
47 45 46 1
48 45 47 2
49 45 48 1
50 19 48 1
51 1 49 1
52 50 49 1 #Up
53 49 51 2
54 50 52 1
55 50 53 1
56 52 54 1
57 52 55 2
58 53 56 1
59 54 57 1
60 54 58 2
61 56 59 1
62 56 60 2
63 57 61 2
64 58 62 1
65 61 63 1
66 62 63 2
|
|---|
