| Entry |
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| Name |
Benzylsuccinyl-CoA;
(R)-2-Benzylsuccinyl-CoA
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| Formula |
C32H46N7O19P3S
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| Exact mass |
957.1782
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| Mol weight |
957.73
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| Structure |
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| Reaction |
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| Pathway |
| map01120 | Microbial metabolism in diverse environments |
| map01220 | Degradation of aromatic compounds |
|
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| Module |
| M00418 | Toluene degradation, anaerobic, toluene => benzoyl-CoA |
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| Enzyme |
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 62
1 S2a S 15.1200 -26.8100
2 C1b C 16.3100 -26.1100
3 C1b C 17.5700 -26.8100
4 N1b N 18.7600 -26.1100
5 C5a C 19.9500 -26.8100
6 C1b C 21.2100 -26.1100
7 C1b C 22.4000 -26.8100
8 N1b N 23.5900 -26.1100
9 C5a C 24.8500 -26.8100
10 C1c C 26.0400 -26.1100
11 C1d C 27.2300 -26.8100
12 C1b C 28.4200 -26.1100
13 O2b O 29.6800 -26.8100
14 O5a O 19.9500 -28.2100
15 O5a O 24.8500 -28.2100
16 O1a O 26.0400 -24.7100
17 C1a C 27.2300 -25.4100
18 C1a C 27.2300 -28.2100
19 P1b P 31.0800 -26.8100
20 O1c O 32.4800 -26.8100
21 O1c O 31.0800 -28.2100
22 C1y C 24.5700 -21.8400
23 C1y C 25.9700 -21.8400
24 C1y C 26.3900 -20.5100
25 O2x O 25.2700 -19.6700
26 C1y C 24.1500 -20.5100
27 C1b C 27.7200 -20.0900
28 O1a O 23.7300 -22.9600
29 O2b O 26.8100 -22.9600
30 P1b P 28.2100 -22.9600
31 O1c O 28.2100 -21.5600
32 O1c O 29.6100 -22.9600
33 O1c O 28.2100 -24.3600
34 C8y C 20.0200 -18.6900
35 C8y C 20.0200 -20.0900
36 N4y N 22.4700 -20.0900
37 C8x C 22.4700 -18.6900
38 N5x N 21.2100 -17.9900
39 C8y C 18.8300 -17.9900
40 N5x N 17.5700 -18.6900
41 C8x C 17.5700 -20.0900
42 N5x N 18.8300 -20.7900
43 N1a N 18.8300 -16.5900
44 O2b O 29.6800 -20.5100
45 P1b P 31.0800 -20.5100
46 O1c O 31.0800 -19.1100
47 O1c O 32.4800 -20.5100
48 O2c O 31.0800 -23.7300
49 C5a C 13.9300 -26.1800
50 C1c C 12.8100 -26.8100
51 O5a O 13.9300 -24.8500
52 C1b C 12.8100 -28.1400
53 C1b C 11.6900 -26.1800
54 C8y C 13.9300 -28.7700
55 C6a C 10.5700 -26.8100
56 C8x C 15.0500 -28.1400
57 C8x C 13.9300 -30.0300
58 O6a O 10.5700 -28.1400
59 O6a O 9.4500 -26.1800
60 C8x C 16.1700 -28.7700
61 C8x C 15.0500 -30.7300
62 C8x C 16.1700 -30.0300
BOND 65
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
53 49 51 2
54 50 52 1 #Down
55 50 53 1
56 52 54 1
57 53 55 1
58 54 56 1
59 54 57 2
60 55 58 1
61 55 59 2
62 56 60 2
63 57 61 1
64 60 62 1
65 61 62 2
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