| Entry |
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| Name |
6-Oxocyclohex-1-ene-1-carbonyl-CoA;
6-Ketoxycyclohex-1-ene-1-carboxyl-CoA
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| Formula |
C28H42N7O18P3S
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| Exact mass |
889.1520
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| Mol weight |
889.66
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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
C09821 6-Oxocyclohex-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 S2a S 17.9900 -26.1800
2 C1b C 19.1800 -25.4800
3 C1b C 20.4400 -26.1800
4 N1b N 21.6300 -25.4800
5 C5a C 22.8200 -26.1800
6 C1b C 24.0800 -25.4800
7 C1b C 25.2700 -26.1800
8 N1b N 26.4600 -25.4800
9 C5a C 27.7200 -26.1800
10 C1c C 28.9100 -25.4800
11 C1d C 30.1000 -26.1800
12 C1b C 31.2900 -25.4800
13 O2b O 32.5500 -26.1800
14 O5a O 22.8200 -27.5800
15 O5a O 27.7200 -27.5800
16 O1a O 28.9100 -24.0800
17 C1a C 30.1000 -24.7800
18 C1a C 30.1000 -27.5800
19 P1b P 33.9500 -26.1800
20 O1c O 35.3500 -26.1800
21 O1c O 33.9500 -27.5800
22 C1y C 27.4400 -21.2100
23 C1y C 28.8400 -21.2100
24 C1y C 29.2600 -19.8800
25 O2x O 28.1400 -19.0400
26 C1y C 27.0200 -19.8800
27 C1b C 30.5900 -19.4600
28 O1a O 26.6000 -22.3300
29 O2b O 29.6800 -22.3300
30 P1b P 31.0800 -22.3300
31 O1c O 31.0800 -20.9300
32 O1c O 32.4800 -22.3300
33 O1c O 31.0800 -23.7300
34 C8y C 22.8900 -18.0600
35 C8y C 22.8900 -19.4600
36 N4y N 25.3400 -19.4600
37 C8x C 25.3400 -18.0600
38 N5x N 24.0800 -17.3600
39 C8y C 21.7000 -17.3600
40 N5x N 20.4400 -18.0600
41 C8x C 20.4400 -19.4600
42 N5x N 21.7000 -20.1600
43 N1a N 21.7000 -15.9600
44 O2b O 32.5500 -19.8800
45 P1b P 33.9500 -19.8800
46 O1c O 33.9500 -18.4800
47 O1c O 35.3500 -19.8800
48 O2c O 33.9500 -23.1000
49 C5a C 16.8700 -25.5500
50 C2y C 15.7500 -26.1800
51 O5a O 16.8700 -24.2200
52 C5x C 15.7500 -27.4400
53 C2x C 14.6300 -25.5500
54 C1x C 14.6300 -28.1400
55 O5x O 16.8700 -28.1400
56 C1x C 13.5100 -26.1800
57 C1x C 13.5100 -27.5100
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 2
56 52 54 1
57 52 55 2
58 53 56 1
59 54 57 1
60 56 57 1
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