| Entry |
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| Name |
Cyclohexa-1,5-diene-1-carbonyl-CoA;
Cyclohexa-1,5-diene-1-carboxyl-CoA;
Cyclohexa-1,5-dienecarbonyl-CoA;
Cyclohex-1,5-diene-1-carbonyl-CoA;
S-1,5-Cyclohexadiene-1-carboxylate coenzymeA
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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 |
| 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
C06322 Cyclohexa-1,5-diene-1-carbonyl-CoA
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 56
1 C2y C 29.6100 -23.8000
2 C5a C 30.8700 -23.1000
3 S2a S 32.0600 -23.8000
4 C1b C 33.2500 -23.1000
5 C1b C 34.5100 -23.8000
6 N1b N 35.7000 -23.1000
7 C5a C 36.8900 -23.8000
8 C1b C 38.1500 -23.1000
9 C1b C 39.3400 -23.8000
10 N1b N 40.5300 -23.1000
11 C5a C 41.7900 -23.8000
12 C1c C 42.9800 -23.1000
13 C1d C 44.1700 -23.8000
14 C1b C 45.3600 -23.1000
15 O2b O 46.6200 -23.8000
16 O5a O 30.8700 -21.7000
17 O5a O 36.8900 -25.2000
18 O5a O 41.7900 -25.2000
19 O1a O 42.9800 -21.7000
20 C1a C 44.1700 -22.4000
21 C1a C 44.1700 -25.2000
22 P1b P 48.0200 -23.8000
23 O1c O 49.4200 -23.8000
24 O1c O 48.0200 -25.2000
25 C1y C 41.5100 -18.8300
26 C1y C 42.9100 -18.8300
27 C1y C 43.3300 -17.5000
28 O2x O 42.2100 -16.6600
29 C1y C 41.0900 -17.5000
30 C1b C 44.6600 -17.0800
31 O1a O 40.6700 -19.9500
32 O2b O 43.7500 -19.9500
33 P1b P 45.1500 -19.9500
34 O1c O 45.1500 -18.5500
35 O1c O 46.5500 -19.9500
36 O1c O 45.1500 -21.3500
37 C8y C 36.9600 -15.6800
38 C8y C 36.9600 -17.0800
39 N4y N 39.4100 -17.0800
40 C8x C 39.4100 -15.6800
41 N5x N 38.1500 -14.9800
42 C8y C 35.7700 -14.9800
43 N5x N 34.5100 -15.6800
44 C8x C 34.5100 -17.0800
45 N5x N 35.7700 -17.7800
46 N1a N 35.7700 -13.5800
47 O2b O 46.6200 -17.5000
48 P1b P 48.0200 -17.5000
49 O1c O 48.0200 -16.1000
50 O1c O 49.4200 -17.5000
51 O2c O 48.0200 -20.7200
52 C2x C 29.6100 -25.0600
53 C2x C 28.4900 -23.1000
54 C2x C 28.4900 -25.7600
55 C1x C 27.3700 -23.8000
56 C1x C 27.3700 -25.0600
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 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 2
56 53 55 1
57 54 56 1
58 55 56 1
59 53 1 2
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