| Entry |
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|---|
| Name |
(10Z,13Z,16Z,19Z,22Z,25Z)-Octacosahexaenoyl-CoA
|
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| Formula |
C49H78N7O17P3S
|
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| Exact mass |
1161.4388
|
|---|
| Mol weight |
1162.17
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| Structure |
|
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| Pathway |
| map01040 | Biosynthesis of unsaturated fatty acids |
|
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C21959 (10Z,13Z,16Z,19Z,22Z,25Z)-Octacosahexaenoyl-CoA
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 77
1 S2a S 40.1100 -20.5800
2 C1b C 41.2300 -19.8800
3 C1b C 42.4200 -20.5800
4 N1b N 43.6100 -19.8800
5 C5a C 44.7300 -20.5800
6 C1b C 45.9200 -19.8800
7 C1b C 47.0400 -20.5800
8 N1b N 48.1600 -19.8800
9 C5a C 49.3500 -20.5800
10 C1c C 50.5400 -19.8800
11 C1d C 51.6600 -20.5800
12 C1b C 52.7800 -19.8800
13 O2b O 53.9700 -20.5800
14 O5a O 44.7300 -21.9100
15 O5a O 49.3500 -21.9100
16 O1a O 50.5400 -18.5500
17 C1a C 51.6600 -19.2500
18 C1a C 51.6600 -21.9100
19 P1b P 55.3000 -20.5800
20 O1c O 56.6300 -20.5800
21 O1c O 55.3000 -21.9100
22 C1y C 49.1400 -15.8200
23 C1y C 50.4700 -15.8200
24 C1y C 50.8200 -14.5600
25 O2x O 49.7700 -13.7900
26 C1y C 48.7200 -14.5600
27 C1b C 52.0800 -14.2100
28 O1a O 48.3000 -16.9400
29 O2b O 51.2400 -16.9400
30 P1b P 52.5700 -16.9400
31 O1c O 52.5700 -15.6100
32 O1c O 53.9000 -16.9400
33 O1c O 52.5700 -18.2700
34 C8y C 44.8000 -12.8800
35 C8y C 44.8000 -14.2100
36 N4y N 47.1100 -14.2100
37 C8x C 47.1100 -12.8800
38 N5x N 45.9200 -12.1800
39 C8y C 43.6800 -12.1800
40 N5x N 42.4200 -12.8800
41 C8x C 42.4200 -14.2100
42 N5x N 43.6800 -14.8400
43 N1a N 43.6800 -10.8500
44 O2b O 53.9700 -14.5600
45 P1b P 55.3000 -14.5600
46 O1c O 55.3000 -13.2300
47 O1c O 56.6300 -14.5600
48 O2c O 55.3000 -17.6400
49 C5a C 39.0600 -19.8800
50 O5a O 39.0600 -18.6900
51 C1b C 37.9400 -20.5800
52 C1b C 36.6800 -19.8800
53 C1b C 35.5600 -20.5800
54 C1b C 34.4400 -19.8800
55 C1b C 33.2500 -20.5800
56 C1b C 31.9900 -19.8800
57 C1b C 30.8000 -20.5800
58 C1b C 29.6100 -19.8800
59 C2b C 28.4900 -20.5800
60 C2b C 27.0900 -20.5800
61 C1b C 25.9700 -19.8800
62 C2b C 24.7800 -20.5800
63 C2b C 23.4500 -20.5800
64 C1b C 22.3300 -19.8800
65 C2b C 21.1400 -20.5800
66 C2b C 19.8100 -20.5800
67 C1b C 18.6200 -19.8800
68 C2b C 17.4300 -20.5800
69 C2b C 16.1000 -20.5800
70 C1b C 14.9800 -19.8800
71 C2b C 13.7900 -20.5800
72 C2b C 12.4600 -20.5800
73 C1b C 11.3400 -19.8800
74 C2b C 10.2200 -20.5800
75 C2b C 8.8900 -20.5800
76 C1b C 7.6300 -19.8800
77 C1a C 6.5100 -20.5800
BOND 79
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 2
53 49 51 1
54 51 52 1
55 52 53 1
56 53 54 1
57 54 55 1
58 55 56 1
59 56 57 1
60 57 58 1
61 59 58 1
62 59 60 2
63 60 61 1
64 61 62 1
65 62 63 2
66 63 64 1
67 64 65 1
68 65 66 2
69 66 67 1
70 67 68 1
71 68 69 2
72 69 70 1
73 70 71 1
74 71 72 2
75 72 73 1
76 73 74 1
77 74 75 2
78 75 76 1
79 76 77 1
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