Entry |
|
Name |
(2E)-5-Methylhexa-2,4-dienoyl-CoA
|
Formula |
C28H44N7O17P3S
|
Exact mass |
875.1727
|
Mol weight |
875.67
|
Structure |

|
Reaction |
|
Pathway |
map00907 | Pinene, camphor and geraniol degradation |
map01120 | Microbial metabolism in diverse environments |
|
Enzyme |
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 56
1 C2b C 11.8300 -21.0700
2 C2b C 10.6400 -20.3700
3 C2b C 9.3800 -21.0700
4 C2c C 8.1900 -20.3700
5 C1a C 7.0000 -21.0700
6 C1a C 8.1900 -18.9700
7 C5a C 13.0900 -20.3700
8 S2a S 14.2800 -21.0700
9 C1b C 15.4700 -20.3700
10 C1b C 16.7300 -21.0700
11 N1b N 17.9200 -20.3700
12 C5a C 19.1100 -21.0700
13 C1b C 20.3700 -20.3700
14 C1b C 21.5600 -21.0700
15 N1b N 22.7500 -20.3700
16 C5a C 24.0100 -21.0700
17 C1c C 25.2000 -20.3700
18 C1d C 26.3900 -21.0700
19 C1b C 27.5800 -20.3700
20 O2b O 28.8400 -21.0700
21 O5a O 13.0900 -18.9700
22 O5a O 19.1100 -22.4700
23 O5a O 24.0100 -22.4700
24 O1a O 25.2000 -18.9700
25 C1a C 26.3900 -19.6700
26 C1a C 26.3900 -22.4700
27 P1b P 30.2400 -21.0700
28 O1c O 31.6400 -21.0700
29 O1c O 30.2400 -22.4700
30 C1y C 23.7300 -16.1000
31 C1y C 25.1300 -16.1000
32 C1y C 25.5500 -14.7700
33 O2x O 24.4300 -13.9300
34 C1y C 23.3100 -14.7700
35 C1b C 26.8800 -14.3500
36 O1a O 22.8900 -17.2200
37 O2b O 25.9700 -17.2200
38 P1b P 27.3700 -17.2200
39 O1c O 27.3700 -15.8200
40 O1c O 28.7700 -17.2200
41 O1c O 27.3700 -18.6200
42 C8y C 19.1800 -12.9500
43 C8y C 19.1800 -14.3500
44 N4y N 21.6300 -14.3500
45 C8x C 21.6300 -12.9500
46 N5x N 20.3700 -12.2500
47 C8y C 17.9900 -12.2500
48 N5x N 16.7300 -12.9500
49 C8x C 16.7300 -14.3500
50 N5x N 17.9900 -15.0500
51 N1a N 17.9900 -10.8500
52 O2b O 28.8400 -14.7700
53 P1b P 30.2400 -14.7700
54 O1c O 30.2400 -13.3700
55 O1c O 31.6400 -14.7700
56 O2c O 30.2400 -17.9900
BOND 58
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 4 6 1
6 1 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 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 7 21 2
21 12 22 2
22 16 23 2
23 17 24 1 #Down
24 18 25 1
25 18 26 1
26 20 27 1
27 27 28 2
28 27 29 1
29 30 31 1
30 31 32 1
31 32 33 1
32 33 34 1
33 30 34 1
34 32 35 1 #Down
35 30 36 1 #Up
36 31 37 1 #Up
37 37 38 1
38 38 39 1
39 38 40 1
40 38 41 2
41 42 43 2
42 43 44 1
43 44 45 1
44 45 46 2
45 42 46 1
46 42 47 1
47 47 48 2
48 48 49 1
49 49 50 2
50 43 50 1
51 47 51 1
52 34 44 1 #Down
53 35 52 1
54 52 53 1
55 53 54 1
56 53 55 2
57 53 56 1
58 27 56 1
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