| Entry |
|
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| Name |
6-Hydroxycyclohex-1-ene-1-carbonyl-CoA;
6-Hydroxycyclohex-1-enecarbonyl-CoA;
6-Hydroxycyclohex-1-ene-1-carboxyl-CoA
|
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| Formula |
C28H44N7O18P3S
|
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| Exact mass |
891.1676
|
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| Mol weight |
891.67
|
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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 |
| M00541 | Benzoyl-CoA degradation, benzoyl-CoA => 3-hydroxypimeloyl-CoA |
|
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| Enzyme |
|
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C06749 6-Hydroxycyclohex-1-ene-1-carbonyl-CoA
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 57
1 C2y C 29.8200 -22.1200
2 C5a C 31.0800 -21.4200
3 S2a S 32.2700 -22.1200
4 C1b C 33.4600 -21.4200
5 C1b C 34.7200 -22.1200
6 N1b N 35.9100 -21.4200
7 C5a C 37.1000 -22.1200
8 C1b C 38.3600 -21.4200
9 C1b C 39.5500 -22.1200
10 N1b N 40.7400 -21.4200
11 C5a C 42.0000 -22.1200
12 C1c C 43.1900 -21.4200
13 C1d C 44.3800 -22.1200
14 C1b C 45.5700 -21.4200
15 O2b O 46.8300 -22.1200
16 O5a O 31.0800 -20.0200
17 O5a O 37.1000 -23.5200
18 O5a O 42.0000 -23.5200
19 O1a O 43.1900 -20.0200
20 C1a C 44.3800 -20.7200
21 C1a C 44.3800 -23.5200
22 P1b P 48.2300 -22.1200
23 O1c O 49.6300 -22.1200
24 O1c O 48.2300 -23.5200
25 C1y C 41.7200 -17.1500
26 C1y C 43.1200 -17.1500
27 C1y C 43.5400 -15.8200
28 O2x O 42.4200 -14.9800
29 C1y C 41.3000 -15.8200
30 C1b C 44.8700 -15.4000
31 O1a O 40.8800 -18.2700
32 O2b O 43.9600 -18.2700
33 P1b P 45.3600 -18.2700
34 O1c O 45.3600 -16.8700
35 O1c O 46.7600 -18.2700
36 O1c O 45.3600 -19.6700
37 C8y C 37.1700 -14.0000
38 C8y C 37.1700 -15.4000
39 N4y N 39.6200 -15.4000
40 C8x C 39.6200 -14.0000
41 N5x N 38.3600 -13.3000
42 C8y C 35.9800 -13.3000
43 N5x N 34.7200 -14.0000
44 C8x C 34.7200 -15.4000
45 N5x N 35.9800 -16.1000
46 N1a N 35.9800 -11.9000
47 O2b O 46.8300 -15.8200
48 P1b P 48.2300 -15.8200
49 O1c O 48.2300 -14.4200
50 O1c O 49.6300 -15.8200
51 O2c O 48.2300 -19.0400
52 C1y C 29.8200 -23.5200
53 C2x C 28.5600 -21.4900
54 C1x C 28.6300 -24.2900
55 O1a O 31.0100 -24.2200
56 C1x C 27.3700 -22.1900
57 C1x C 27.3700 -23.5900
BOND 60
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 1
55 52 54 1
56 52 55 1
57 53 56 1
58 54 57 1
59 56 57 1
60 53 1 2
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