Entry |
|
Name |
(2E)-Octadecenoyl-CoA;
trans-Octadec-2-enoyl-CoA
|
Formula |
C39H68N7O17P3S
|
Exact mass |
1031.3605
|
Mol weight |
1031.98
|
Structure |

|
Reaction |
|
Pathway |
|
Enzyme |
|
Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C16218 (2E)-Octadecenoyl-CoA
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 67
1 C2b C 20.8600 -20.3000
2 C2b C 19.6700 -19.6700
3 C1b C 18.4800 -20.3700
4 C1b C 17.2900 -19.6700
5 C1b C 16.1000 -20.3700
6 C1b C 14.8400 -19.6700
7 C1b C 13.6500 -20.3700
8 C1b C 12.4600 -19.6700
9 C1b C 11.2700 -20.3700
10 C1b C 10.0800 -19.6700
11 C1b C 8.8900 -20.3700
12 C1b C 7.7000 -19.6700
13 C1b C 6.5100 -20.3700
14 C1b C 5.3200 -19.6700
15 C1b C 4.1300 -20.3700
16 C1b C 2.9400 -19.6700
17 C1a C 1.7500 -20.3700
18 C5a C 22.1200 -19.6000
19 S2a S 23.3100 -20.3000
20 C1b C 24.5000 -19.6000
21 C1b C 25.7600 -20.3000
22 N1b N 26.9500 -19.6000
23 C5a C 28.1400 -20.3000
24 C1b C 29.4000 -19.6000
25 C1b C 30.5900 -20.3000
26 N1b N 31.7800 -19.6000
27 C5a C 33.0400 -20.3000
28 C1c C 34.2300 -19.6000
29 C1d C 35.4200 -20.3000
30 C1b C 36.6100 -19.6000
31 O2b O 37.8700 -20.3000
32 O5a O 22.1200 -18.2000
33 O5a O 28.1400 -21.7000
34 O5a O 33.0400 -21.7000
35 O1a O 34.2300 -18.2000
36 C1a C 35.4200 -18.9000
37 C1a C 35.4200 -21.7000
38 P1b P 39.2700 -20.3000
39 O1c O 40.6700 -20.3000
40 O1c O 39.2700 -21.7000
41 C1y C 32.7600 -15.3300
42 C1y C 34.1600 -15.3300
43 C1y C 34.5800 -14.0000
44 O2x O 33.4600 -13.1600
45 C1y C 32.3400 -14.0000
46 C1b C 35.9100 -13.5800
47 O1a O 31.9200 -16.4500
48 O2b O 35.0000 -16.4500
49 P1b P 36.4000 -16.4500
50 O1c O 36.4000 -15.0500
51 O1c O 37.8000 -16.4500
52 O1c O 36.4000 -17.8500
53 C8y C 28.2100 -12.1800
54 C8y C 28.2100 -13.5800
55 N4y N 30.6600 -13.5800
56 C8x C 30.6600 -12.1800
57 N5x N 29.4000 -11.4800
58 C8y C 27.0200 -11.4800
59 N5x N 25.7600 -12.1800
60 C8x C 25.7600 -13.5800
61 N5x N 27.0200 -14.2800
62 N1a N 27.0200 -10.0800
63 O2b O 37.8700 -14.0000
64 P1b P 39.2700 -14.0000
65 O1c O 39.2700 -12.6000
66 O1c O 40.6700 -14.0000
67 O2c O 39.2700 -17.2200
BOND 69
1 1 2 2
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 15 16 1
16 16 17 1
17 1 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 24 25 1
25 25 26 1
26 26 27 1
27 27 28 1
28 28 29 1
29 29 30 1
30 30 31 1
31 18 32 2
32 23 33 2
33 27 34 2
34 28 35 1 #Down
35 29 36 1
36 29 37 1
37 31 38 1
38 38 39 2
39 38 40 1
40 41 42 1
41 42 43 1
42 43 44 1
43 44 45 1
44 41 45 1
45 43 46 1 #Down
46 41 47 1 #Up
47 42 48 1 #Up
48 48 49 1
49 49 50 1
50 49 51 1
51 49 52 2
52 53 54 2
53 54 55 1
54 55 56 1
55 56 57 2
56 53 57 1
57 53 58 1
58 58 59 2
59 59 60 1
60 60 61 2
61 54 61 1
62 58 62 1
63 45 55 1 #Down
64 46 63 1
65 63 64 1
66 64 65 1
67 64 66 2
68 64 67 1
69 38 67 1
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