| Entry |
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| Name |
(8Z,11Z,14Z,17Z,20Z,23Z)-Hexacosahexaenoyl-CoA
|
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| Formula |
C47H74N7O17P3S
|
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| Exact mass |
1133.4075
|
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| Mol weight |
1134.11
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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
C21953 (8Z,11Z,14Z,17Z,20Z,23Z)-Hexacosahexaenoyl-CoA
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 75
1 S2a S 35.2800 -20.5800
2 C1b C 36.4700 -19.8800
3 C1b C 37.7300 -20.5800
4 N1b N 38.9200 -19.8800
5 C5a C 40.1100 -20.5800
6 C1b C 41.3700 -19.8800
7 C1b C 42.5600 -20.5800
8 N1b N 43.7500 -19.8800
9 C5a C 45.0100 -20.5800
10 C1c C 46.2000 -19.8800
11 C1d C 47.3900 -20.5800
12 C1b C 48.5800 -19.8800
13 O2b O 49.8400 -20.5800
14 O5a O 40.1100 -21.9800
15 O5a O 45.0100 -21.9800
16 O1a O 46.2000 -18.4800
17 C1a C 47.3900 -19.1800
18 C1a C 47.3900 -21.9800
19 P1b P 51.2400 -20.5800
20 O1c O 52.6400 -20.5800
21 O1c O 51.2400 -21.9800
22 C1y C 44.7300 -15.6100
23 C1y C 46.1300 -15.6100
24 C1y C 46.5500 -14.2800
25 O2x O 45.4300 -13.4400
26 C1y C 44.3100 -14.2800
27 C1b C 47.8800 -13.8600
28 O1a O 43.8900 -16.7300
29 O2b O 46.9700 -16.7300
30 P1b P 48.3700 -16.7300
31 O1c O 48.3700 -15.3300
32 O1c O 49.7700 -16.7300
33 O1c O 48.3700 -18.1300
34 C8y C 40.1800 -12.4600
35 C8y C 40.1800 -13.8600
36 N4y N 42.6300 -13.8600
37 C8x C 42.6300 -12.4600
38 N5x N 41.3700 -11.7600
39 C8y C 38.9900 -11.7600
40 N5x N 37.7300 -12.4600
41 C8x C 37.7300 -13.8600
42 N5x N 38.9900 -14.5600
43 N1a N 38.9900 -10.3600
44 O2b O 49.8400 -14.2800
45 P1b P 51.2400 -14.2800
46 O1c O 51.2400 -12.8800
47 O1c O 52.6400 -14.2800
48 O2c O 51.2400 -17.5000
49 C5a C 34.1600 -19.8800
50 O5a O 34.1600 -18.6200
51 C1b C 32.9700 -20.5800
52 C1b C 31.7100 -19.8800
53 C1b C 30.5200 -20.5800
54 C1b C 29.3300 -19.8800
55 C1b C 28.0700 -20.5800
56 C1b C 26.8800 -19.8800
57 C2b C 25.6900 -20.5800
58 C2b C 24.2900 -20.5800
59 C1b C 23.1000 -19.8800
60 C2b C 21.8400 -20.5800
61 C2b C 20.4400 -20.5800
62 C1b C 19.2500 -19.8800
63 C2b C 17.9900 -20.5800
64 C2b C 16.5900 -20.5800
65 C1b C 15.3300 -19.8800
66 C2b C 14.1400 -20.5800
67 C2b C 12.7400 -20.5800
68 C1b C 11.5500 -19.8800
69 C2b C 10.2900 -20.5800
70 C2b C 8.8900 -20.5800
71 C1b C 7.7000 -19.8800
72 C2b C 6.5100 -20.5800
73 C2b C 5.1100 -20.5800
74 C1b C 3.8500 -19.8800
75 C1a C 2.6600 -20.5800
BOND 77
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 57 56 1
60 57 58 2
61 58 59 1
62 59 60 1
63 60 61 2
64 61 62 1
65 62 63 1
66 63 64 2
67 64 65 1
68 65 66 1
69 66 67 2
70 67 68 1
71 68 69 1
72 69 70 2
73 70 71 1
74 71 72 1
75 72 73 2
76 73 74 1
77 74 75 1
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