Entry |
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Name |
(13Z,16Z,19Z,22Z)-Octacosatetraenoyl-CoA
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Formula |
C49H82N7O17P3S
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Exact mass |
1165.4701
|
Mol weight |
1166.20
|
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
C21963 (13Z,16Z,19Z,22Z)-Octacosatetraenoyl-CoA
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Other DBs |
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LinkDB |
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KCF data |
ATOM 77
1 S2a S 35.6300 -20.3000
2 C1b C 36.7500 -19.6000
3 C1b C 38.0100 -20.3000
4 N1b N 39.1300 -19.6000
5 C5a C 40.2500 -20.3000
6 C1b C 41.3700 -19.6000
7 C1b C 42.4900 -20.3000
8 N1b N 43.6100 -19.6000
9 C5a C 44.8700 -20.3000
10 C1c C 45.9900 -19.6000
11 C1d C 47.1100 -20.3000
12 C1b C 48.2300 -19.6000
13 O2b O 49.4200 -20.3000
14 O5a O 40.2500 -21.6300
15 O5a O 44.8700 -21.6300
16 O1a O 45.9900 -18.2700
17 C1a C 47.1100 -18.9700
18 C1a C 47.1100 -21.6300
19 P1b P 50.7500 -20.3000
20 O1c O 52.0800 -20.3000
21 O1c O 50.7500 -21.6300
22 C1y C 44.5900 -15.5400
23 C1y C 45.9200 -15.5400
24 C1y C 46.3400 -14.2800
25 O2x O 45.2200 -13.5100
26 C1y C 44.1700 -14.2800
27 C1b C 47.6000 -13.8600
28 O1a O 43.7500 -16.5900
29 O2b O 46.6900 -16.5900
30 P1b P 48.0200 -16.5900
31 O1c O 48.0200 -15.2600
32 O1c O 49.3500 -16.5900
33 O1c O 48.0200 -17.9200
34 C8y C 40.3200 -12.5300
35 C8y C 40.3200 -13.8600
36 N4y N 42.5600 -13.8600
37 C8x C 42.5600 -12.5300
38 N5x N 41.3700 -11.9000
39 C8y C 39.2000 -11.9000
40 N5x N 38.0100 -12.5300
41 C8x C 38.0100 -13.8600
42 N5x N 39.2000 -14.5600
43 N1a N 39.2000 -10.5700
44 O2b O 49.4200 -14.2800
45 P1b P 50.7500 -14.2800
46 O1c O 50.7500 -12.9500
47 O1c O 52.0800 -14.2800
48 O2c O 50.7500 -17.3600
49 C5a C 34.5800 -19.6000
50 O5a O 34.5800 -18.3400
51 C1b C 33.4600 -20.3000
52 C1b C 32.3400 -19.6000
53 C1b C 31.0800 -20.3000
54 C1b C 29.9600 -19.6000
55 C1b C 28.8400 -20.3000
56 C1b C 27.6500 -19.6000
57 C1b C 26.3900 -20.3000
58 C1b C 25.2000 -19.6000
59 C1b C 23.9400 -20.3000
60 C1b C 22.7500 -19.6000
61 C1b C 21.5600 -20.3000
62 C2b C 20.3700 -19.6000
63 C2b C 19.0400 -19.6000
64 C1b C 17.9200 -20.3000
65 C2b C 16.7300 -19.6000
66 C2b C 15.4000 -19.6000
67 C1b C 14.2800 -20.3000
68 C2b C 13.1600 -19.6000
69 C2b C 11.9000 -19.6000
70 C1b C 10.6400 -20.3000
71 C2b C 9.5200 -19.6000
72 C2b C 8.2600 -19.6000
73 C1b C 7.0700 -20.3000
74 C1b C 5.9500 -19.6000
75 C1b C 4.8300 -20.3000
76 C1b C 3.6400 -19.6000
77 C1a C 2.4500 -20.3000
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 58 59 1
62 59 60 1
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 1
78 75 76 1
79 76 77 1
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