| Entry |
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| Name |
Cyclohexa-2,5-diene-1-carbonyl-CoA;
Cyclohex-2,5-diene-1-carboxyl-CoA
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| Formula |
C28H42N7O17P3S
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| Exact mass |
873.1571
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| Mol weight |
873.6561
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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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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C09809 Cyclohexa-2,5-diene-1-carbonyl-CoA
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 56
1 S2a S 13.5800 -20.5800
2 C1b C 14.7700 -19.8800
3 C1b C 16.0300 -20.5800
4 N1b N 17.2200 -19.8800
5 C5a C 18.4100 -20.5800
6 C1b C 19.6700 -19.8800
7 C1b C 20.8600 -20.5800
8 N1b N 22.0500 -19.8800
9 C5a C 23.3100 -20.5800
10 C1c C 24.5000 -19.8800
11 C1d C 25.6900 -20.5800
12 C1b C 26.8800 -19.8800
13 O2b O 28.1400 -20.5800
14 O5a O 18.4100 -21.9800
15 O5a O 23.3100 -21.9800
16 O1a O 24.5000 -18.4800
17 C1a C 25.6900 -19.1800
18 C1a C 25.6900 -21.9800
19 P1b P 29.5400 -20.5800
20 O1c O 30.9400 -20.5800
21 O1c O 29.5400 -21.9800
22 C1y C 23.0300 -15.6100
23 C1y C 24.4300 -15.6100
24 C1y C 24.8500 -14.2800
25 O2x O 23.7300 -13.4400
26 C1y C 22.6100 -14.2800
27 C1b C 26.1800 -13.8600
28 O1a O 22.1900 -16.7300
29 O2b O 25.2700 -16.7300
30 P1b P 26.6700 -16.7300
31 O1c O 26.6700 -15.3300
32 O1c O 28.0700 -16.7300
33 O1c O 26.6700 -18.1300
34 C8y C 18.4800 -12.4600
35 C8y C 18.4800 -13.8600
36 N4y N 20.9300 -13.8600
37 C8x C 20.9300 -12.4600
38 N5x N 19.6700 -11.7600
39 C8y C 17.2900 -11.7600
40 N5x N 16.0300 -12.4600
41 C8x C 16.0300 -13.8600
42 N5x N 17.2900 -14.5600
43 N1a N 17.2900 -10.3600
44 O2b O 28.1400 -14.2800
45 P1b P 29.5400 -14.2800
46 O1c O 29.5400 -12.8800
47 O1c O 30.9400 -14.2800
48 O2c O 29.5400 -17.5000
49 C5a C 12.4600 -19.9500
50 C1y C 11.3400 -20.5800
51 O5a O 12.4600 -18.6200
52 C2x C 11.3400 -21.9100
53 C2x C 10.2200 -19.9500
54 C2x C 10.2200 -22.5400
55 C2x C 9.1000 -20.5800
56 C1x C 9.1000 -21.9100
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 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 49 50 1
53 49 51 2
54 50 52 1
55 50 53 1
56 52 54 2
57 53 55 2
58 54 56 1
59 55 56 1
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