| Entry |
|
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| Name |
2-Oxocyclohexane-1-carbonyl-CoA;
2-Ketocyclohexane-1-carboxyl-CoA
|
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| Formula |
C28H44N7O18P3S
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| Exact mass |
891.1676
|
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| Mol weight |
891.6713
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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 |
| M00540 | Benzoate degradation, cyclohexanecarboxylic acid =>pimeloyl-CoA |
|
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| Enzyme |
1.1.1.- 3.1.2.-
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C09813 2-Oxocyclohexane-1-carbonyl-CoA
|
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| Other DBs |
|
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| KCF data |
ATOM 57
1 S2a S 12.2500 -20.3000
2 C1b C 13.4400 -19.6000
3 C1b C 14.7000 -20.3000
4 N1b N 15.8900 -19.6000
5 C5a C 17.0800 -20.3000
6 C1b C 18.3400 -19.6000
7 C1b C 19.5300 -20.3000
8 N1b N 20.7200 -19.6000
9 C5a C 21.9800 -20.3000
10 C1c C 23.1700 -19.6000
11 C1d C 24.3600 -20.3000
12 C1b C 25.5500 -19.6000
13 O2b O 26.8100 -20.3000
14 O5a O 17.0800 -21.7000
15 O5a O 21.9800 -21.7000
16 O1a O 23.1700 -18.2000
17 C1a C 24.3600 -18.9000
18 C1a C 24.3600 -21.7000
19 P1b P 28.2100 -20.3000
20 O1c O 29.6100 -20.3000
21 O1c O 28.2100 -21.7000
22 C1y C 21.7000 -15.3300
23 C1y C 23.1000 -15.3300
24 C1y C 23.5200 -14.0000
25 O2x O 22.4000 -13.1600
26 C1y C 21.2800 -14.0000
27 C1b C 24.8500 -13.5800
28 O1a O 20.8600 -16.4500
29 O2b O 23.9400 -16.4500
30 P1b P 25.3400 -16.4500
31 O1c O 25.3400 -15.0500
32 O1c O 26.7400 -16.4500
33 O1c O 25.3400 -17.8500
34 C8y C 17.1500 -12.1800
35 C8y C 17.1500 -13.5800
36 N4y N 19.6000 -13.5800
37 C8x C 19.6000 -12.1800
38 N5x N 18.3400 -11.4800
39 C8y C 15.9600 -11.4800
40 N5x N 14.7000 -12.1800
41 C8x C 14.7000 -13.5800
42 N5x N 15.9600 -14.2800
43 N1a N 15.9600 -10.0800
44 O2b O 26.8100 -14.0000
45 P1b P 28.2100 -14.0000
46 O1c O 28.2100 -12.6000
47 O1c O 29.6100 -14.0000
48 O2c O 28.2100 -17.2200
49 C5a C 11.1300 -19.6700
50 C1y C 10.0100 -20.3000
51 O5a O 11.1300 -18.3400
52 C5x C 8.8900 -19.6700
53 C1x C 10.0100 -21.5600
54 C1x C 7.7000 -20.3000
55 O5x O 8.8900 -18.3400
56 C1x C 8.8900 -22.2600
57 C1x C 7.7000 -21.6300
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 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 1
57 52 55 2
58 53 56 1
59 54 57 1
60 56 57 1
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