| Entry |
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| Name |
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoyl-CoA
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| Formula |
C43H66N7O17P3S
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| Exact mass |
1077.3449
|
|---|
| Mol weight |
1078.0071
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| Structure |
|
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| Reaction |
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| Pathway |
| map01040 | Biosynthesis of unsaturated fatty acids |
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| Module |
| M00861 | beta-Oxidation, peroxisome, VLCFA |
|
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| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C16169 (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoyl-CoA
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 71
1 S2a S 30.1700 -25.6900
2 C1b C 31.3600 -24.9900
3 C1b C 32.6200 -25.6900
4 N1b N 33.8100 -24.9900
5 C5a C 35.0000 -25.6900
6 C1b C 36.2600 -24.9900
7 C1b C 37.4500 -25.6900
8 N1b N 38.6400 -24.9900
9 C5a C 39.9000 -25.6900
10 C1c C 41.0900 -24.9900
11 C1d C 42.2800 -25.6900
12 C1b C 43.4700 -24.9900
13 O2b O 44.7300 -25.6900
14 O5a O 35.0000 -27.0900
15 O5a O 39.9000 -27.0900
16 O1a O 41.0900 -23.5900
17 C1a C 42.2800 -24.2900
18 C1a C 42.2800 -27.0900
19 P1b P 46.1300 -25.6900
20 O1c O 47.5300 -25.6900
21 O1c O 46.1300 -27.0900
22 C1y C 39.6200 -20.7200
23 C1y C 41.0200 -20.7200
24 C1y C 41.4400 -19.3900
25 O2x O 40.3200 -18.5500
26 C1y C 39.2000 -19.3900
27 C1b C 42.7700 -18.9700
28 O1a O 38.7800 -21.8400
29 O2b O 41.8600 -21.8400
30 P1b P 43.2600 -21.8400
31 O1c O 43.2600 -20.4400
32 O1c O 44.6600 -21.8400
33 O1c O 43.2600 -23.2400
34 C8y C 35.0700 -17.5700
35 C8y C 35.0700 -18.9700
36 N4y N 37.5200 -18.9700
37 C8x C 37.5200 -17.5700
38 N5x N 36.2600 -16.8700
39 C8y C 33.8800 -16.8700
40 N5x N 32.6200 -17.5700
41 C8x C 32.6200 -18.9700
42 N5x N 33.8800 -19.6700
43 N1a N 33.8800 -15.4700
44 O2b O 44.7300 -19.3900
45 P1b P 46.1300 -19.3900
46 O1c O 46.1300 -17.9900
47 O1c O 47.5300 -19.3900
48 O2c O 46.1300 -22.6100
49 C5a C 29.0500 -24.9900
50 O5a O 29.0500 -23.7300
51 C1b C 27.8600 -25.6900
52 C1b C 26.6700 -24.9900
53 C2b C 25.4800 -25.6900
54 C2b C 24.0800 -25.6900
55 C1b C 22.8900 -24.9900
56 C2b C 21.6300 -25.6900
57 C2b C 20.2300 -25.6900
58 C1b C 19.0400 -24.9900
59 C2b C 17.7800 -25.6900
60 C2b C 16.3800 -25.6900
61 C1b C 15.1200 -24.9900
62 C2b C 13.9300 -25.6900
63 C2b C 12.5300 -25.6900
64 C1b C 11.3400 -24.9900
65 C2b C 10.0800 -25.6900
66 C2b C 8.6800 -25.6900
67 C1b C 7.4900 -24.9900
68 C2b C 6.3000 -25.6900
69 C2b C 4.9000 -25.6900
70 C1b C 3.6400 -24.9900
71 C1a C 2.4500 -25.6900
BOND 73
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 53 52 1
56 53 54 2
57 54 55 1
58 55 56 1
59 56 57 2
60 57 58 1
61 58 59 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
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