| Entry |
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| Name |
2-Oxepin-2(3H)-ylideneacetyl-CoA
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| Formula |
C29H42N7O18P3S
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| Exact mass |
901.1520
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| Mol weight |
901.67
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| Structure |
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| Reaction |
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| Pathway |
| map01120 | Microbial metabolism in diverse environments |
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| Module |
| M00878 | Phenylacetate degradation, phenylaxetate => acetyl-CoA/succinyl-CoA |
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| Enzyme |
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 58
1 C2b C 11.8300 -19.6000
2 C5a C 13.0900 -18.9000
3 S2a S 14.2800 -19.6000
4 C1b C 15.4700 -18.9000
5 C1b C 16.7300 -19.6000
6 N1b N 17.9200 -18.9000
7 C5a C 19.1100 -19.6000
8 C1b C 20.3700 -18.9000
9 C1b C 21.5600 -19.6000
10 N1b N 22.7500 -18.9000
11 C5a C 24.0100 -19.6000
12 C1c C 25.2000 -18.9000
13 C1d C 26.3900 -19.6000
14 C1b C 27.5800 -18.9000
15 O2b O 28.8400 -19.6000
16 O5a O 13.0900 -17.5000
17 O5a O 19.1100 -21.0000
18 O5a O 24.0100 -21.0000
19 O1a O 25.2000 -17.5000
20 C1a C 26.3900 -18.2000
21 C1a C 26.3900 -21.0000
22 P1b P 30.2400 -19.6000
23 O1c O 31.6400 -19.6000
24 O1c O 30.2400 -21.0000
25 C1y C 23.7300 -14.6300
26 C1y C 25.1300 -14.6300
27 C1y C 25.5500 -13.3000
28 O2x O 24.4300 -12.4600
29 C1y C 23.3100 -13.3000
30 C1b C 26.8800 -12.8800
31 O1a O 22.8900 -15.7500
32 O2b O 25.9700 -15.7500
33 P1b P 27.3700 -15.7500
34 O1c O 27.3700 -14.3500
35 O1c O 28.7700 -15.7500
36 O1c O 27.3700 -17.1500
37 C8y C 19.1800 -11.4800
38 C8y C 19.1800 -12.8800
39 N4y N 21.6300 -12.8800
40 C8x C 21.6300 -11.4800
41 N5x N 20.3700 -10.7800
42 C8y C 17.9900 -10.7800
43 N5x N 16.7300 -11.4800
44 C8x C 16.7300 -12.8800
45 N5x N 17.9900 -13.5800
46 N1a N 17.9900 -9.3800
47 O2b O 28.8400 -13.3000
48 P1b P 30.2400 -13.3000
49 O1c O 30.2400 -11.9000
50 O1c O 31.6400 -13.3000
51 O2c O 30.2400 -16.5200
52 C1x C 10.5700 -21.6300
53 C2y C 11.8300 -21.0000
54 O2x O 13.0900 -21.5600
55 C2x C 13.4400 -22.9600
56 C2x C 10.3600 -23.0300
57 C2x C 12.6700 -24.0800
58 C2x C 11.2700 -24.0800
BOND 61
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 54 55 1
55 52 56 1
56 55 57 2
57 53 54 1
58 56 58 2
59 52 53 1
60 57 58 1
61 1 53 2
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