| Entry |
|
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| Name |
Benzoyl-CoA;
S-Benzoyl-coenzyme A
|
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| Formula |
C28H40N7O17P3S
|
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| Exact mass |
871.1414
|
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| Mol weight |
871.64
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| Structure |
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| Reaction |
|
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| Pathway |
| map01064 | Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid |
| map01120 | Microbial metabolism in diverse environments |
| map01220 | Degradation of aromatic compounds |
|
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| Module |
| M00418 | Toluene degradation, anaerobic, toluene => benzoyl-CoA |
| M00541 | Benzoyl-CoA degradation, benzoyl-CoA => 3-hydroxypimeloyl-CoA |
|
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| Enzyme |
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 56
1 C8y C 29.6324 -36.5400
2 C5a C 30.8449 -35.8400
3 S2a S 32.0573 -36.5400
4 C1b C 33.2697 -35.8400
5 C1b C 34.4822 -36.5400
6 N1b N 35.6946 -35.8400
7 C5a C 36.9070 -36.5400
8 C1b C 38.1195 -35.8400
9 C1b C 39.3319 -36.5400
10 N1b N 40.5444 -35.8400
11 C5a C 41.7568 -36.5400
12 C1c C 42.9692 -35.8400
13 C1d C 44.1817 -36.5400
14 C1b C 45.3941 -35.8400
15 O2b O 46.6065 -36.5400
16 O5a O 30.8449 -34.4402
17 O5a O 36.9070 -37.9399
18 O5a O 41.7568 -37.9396
19 O1a O 42.9692 -34.4400
20 C1a C 44.1817 -35.1400
21 C1a C 44.1817 -37.9400
22 P1b P 48.0065 -36.5400
23 O1c O 49.4065 -36.5400
24 O1c O 48.0065 -37.9400
25 C1y C 41.5100 -31.5700
26 C1y C 42.9100 -31.5700
27 C1y C 43.3426 -30.2385
28 O2x O 42.2100 -29.4156
29 C1y C 41.0774 -30.2385
30 C1b C 44.6622 -29.8097
31 O1a O 40.6871 -32.7026
32 O2b O 43.7329 -32.7026
33 P1b P 45.1329 -32.7026
34 O1c O 45.1329 -31.3026
35 O1c O 46.5329 -32.7026
36 O1c O 45.1329 -34.1026
37 C8y C 36.9600 -28.4200
38 C8y C 36.9600 -29.8200
39 N4y N 39.3849 -29.8200
40 C8x C 39.3849 -28.4200
41 N5x N 38.1724 -27.7200
42 C8y C 35.7476 -27.7200
43 N5x N 34.5351 -28.4200
44 C8x C 34.5351 -29.8200
45 N5x N 35.7476 -30.5200
46 N1a N 35.7476 -26.3202
47 O2b O 46.6445 -30.2420
48 P1b P 48.0445 -30.2420
49 O1c O 48.0445 -28.8420
50 O1c O 49.4445 -30.2420
51 O2c O 48.0445 -33.4620
52 C8x C 28.4033 -35.8302
53 C8x C 27.1908 -36.5300
54 C8x C 27.1906 -37.9300
55 C8x C 28.4197 -38.6398
56 C8x C 29.6322 -37.9400
BOND 59
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 13 14 1
14 14 15 1
15 2 16 2
16 7 17 2
17 11 18 2
18 12 19 1 #Down
19 13 20 1
20 13 21 1
21 15 22 1
22 22 23 2
23 22 24 1
24 25 26 1
25 26 27 1
26 27 28 1
27 28 29 1
28 25 29 1
29 27 30 1 #Down
30 25 31 1 #Up
31 26 32 1 #Up
32 32 33 1
33 33 34 1
34 33 35 1
35 33 36 2
36 37 38 2
37 38 39 1
38 39 40 1
39 40 41 2
40 37 41 1
41 37 42 1
42 42 43 2
43 43 44 1
44 44 45 2
45 38 45 1
46 42 46 1
47 29 39 1 #Down
48 30 47 1
49 47 48 1
50 48 49 1
51 48 50 2
52 48 51 1
53 22 51 1
54 1 52 2
55 52 53 1
56 53 54 2
57 54 55 1
58 55 56 2
59 1 56 1
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