| Entry |
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| Name |
(2S)-[(R)-Hydroxy(phenyl)methyl]succinyl-CoA;
(Hydroxymethylphenyl)succinyl-CoA;
(R,S)-2-(alpha-Hydroxybenzyl)succinyl-CoA
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|---|
| Formula |
C32H46N7O20P3S
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| Exact mass |
973.1731
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| Mol weight |
973.73
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| Structure |
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| Reaction |
|
|---|
| 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 63
1 S2a S 12.8100 -19.1100
2 C1b C 14.0000 -18.4100
3 C1b C 15.2600 -19.1100
4 N1b N 16.4500 -18.4100
5 C5a C 17.6400 -19.1100
6 C1b C 18.9000 -18.4100
7 C1b C 20.0900 -19.1100
8 N1b N 21.2800 -18.4100
9 C5a C 22.5400 -19.1100
10 C1c C 23.7300 -18.4100
11 C1d C 24.9200 -19.1100
12 C1b C 26.1100 -18.4100
13 O2b O 27.3700 -19.1100
14 O5a O 17.6400 -20.5100
15 O5a O 22.5400 -20.5100
16 O1a O 23.7300 -17.0100
17 C1a C 24.9200 -17.7100
18 C1a C 24.9200 -20.5100
19 P1b P 28.7700 -19.1100
20 O1c O 30.1700 -19.1100
21 O1c O 28.7700 -20.5100
22 C1y C 22.2600 -14.1400
23 C1y C 23.6600 -14.1400
24 C1y C 24.0800 -12.8100
25 O2x O 22.9600 -11.9700
26 C1y C 21.8400 -12.8100
27 C1b C 25.4100 -12.3900
28 O1a O 21.4200 -15.2600
29 O2b O 24.5000 -15.2600
30 P1b P 25.9000 -15.2600
31 O1c O 25.9000 -13.8600
32 O1c O 27.3000 -15.2600
33 O1c O 25.9000 -16.6600
34 C8y C 17.7100 -10.9900
35 C8y C 17.7100 -12.3900
36 N4y N 20.1600 -12.3900
37 C8x C 20.1600 -10.9900
38 N5x N 18.9000 -10.2900
39 C8y C 16.5200 -10.2900
40 N5x N 15.2600 -10.9900
41 C8x C 15.2600 -12.3900
42 N5x N 16.5200 -13.0900
43 N1a N 16.5200 -8.8900
44 O2b O 27.3700 -12.8100
45 P1b P 28.7700 -12.8100
46 O1c O 28.7700 -11.4100
47 O1c O 30.1700 -12.8100
48 O2c O 28.7700 -16.0300
49 C5a C 11.6900 -18.4800
50 C1c C 10.5700 -19.1100
51 O5a O 11.6900 -17.1500
52 C1c C 10.5700 -20.4400
53 C1b C 9.4500 -18.4800
54 C8y C 11.6900 -21.0700
55 O1a O 9.3800 -21.0700
56 C6a C 8.2600 -19.1100
57 C8x C 12.8100 -20.4400
58 C8x C 11.6900 -22.3300
59 O6a O 7.1400 -18.4800
60 O6a O 8.2600 -20.4400
61 C8x C 13.9300 -21.0700
62 C8x C 12.8100 -23.0300
63 C8x C 13.9300 -22.3300
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 #Down
53 49 51 2
54 50 52 1
55 50 53 1
56 52 54 1
57 52 55 1 #Down
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
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