| Entry |
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| Name |
(4Z,7Z,10Z,13Z,16Z)-Docosapentaenoyl-CoA
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| Formula |
C43H68N7O17P3S
|
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| Exact mass |
1079.3605
|
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| Mol weight |
1080.02
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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 |
|
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C16173 (4Z,7Z,10Z,13Z,16Z)-Docosapentaenoyl-CoA
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 71
1 S2a S 30.1000 -25.3400
2 C1b C 31.2900 -24.6400
3 C1b C 32.5500 -25.3400
4 N1b N 33.7400 -24.6400
5 C5a C 34.9300 -25.3400
6 C1b C 36.1900 -24.6400
7 C1b C 37.3800 -25.3400
8 N1b N 38.5700 -24.6400
9 C5a C 39.8300 -25.3400
10 C1c C 41.0200 -24.6400
11 C1d C 42.2100 -25.3400
12 C1b C 43.4000 -24.6400
13 O2b O 44.6600 -25.3400
14 O5a O 34.9300 -26.7400
15 O5a O 39.8300 -26.7400
16 O1a O 41.0200 -23.2400
17 C1a C 42.2100 -23.9400
18 C1a C 42.2100 -26.7400
19 P1b P 46.0600 -25.3400
20 O1c O 47.4600 -25.3400
21 O1c O 46.0600 -26.7400
22 C1y C 39.5500 -20.3700
23 C1y C 40.9500 -20.3700
24 C1y C 41.3700 -19.0400
25 O2x O 40.2500 -18.2000
26 C1y C 39.1300 -19.0400
27 C1b C 42.7000 -18.6200
28 O1a O 38.7100 -21.4900
29 O2b O 41.7900 -21.4900
30 P1b P 43.1900 -21.4900
31 O1c O 43.1900 -20.0900
32 O1c O 44.5900 -21.4900
33 O1c O 43.1900 -22.8900
34 C8y C 35.0000 -17.2200
35 C8y C 35.0000 -18.6200
36 N4y N 37.4500 -18.6200
37 C8x C 37.4500 -17.2200
38 N5x N 36.1900 -16.5200
39 C8y C 33.8100 -16.5200
40 N5x N 32.5500 -17.2200
41 C8x C 32.5500 -18.6200
42 N5x N 33.8100 -19.3200
43 N1a N 33.8100 -15.1200
44 O2b O 44.6600 -19.0400
45 P1b P 46.0600 -19.0400
46 O1c O 46.0600 -17.6400
47 O1c O 47.4600 -19.0400
48 O2c O 46.0600 -22.2600
49 C1b C 27.6500 -25.3400
50 C5a C 28.9100 -24.6400
51 O5a O 28.9100 -23.2400
52 C1b C 26.4600 -24.6400
53 C2b C 25.2700 -25.3400
54 C2b C 23.8700 -25.3400
55 C1b C 22.6800 -24.6400
56 C2b C 21.4200 -25.3400
57 C2b C 20.0200 -25.3400
58 C1b C 18.8300 -24.6400
59 C2b C 17.5700 -25.3400
60 C2b C 16.1700 -25.3400
61 C1b C 14.9100 -24.6400
62 C2b C 13.7200 -25.3400
63 C2b C 12.3200 -25.3400
64 C1b C 11.1300 -24.6400
65 C2b C 9.8700 -25.3400
66 C2b C 8.4700 -25.3400
67 C1b C 7.2800 -24.6400
68 C1b C 6.0900 -25.3400
69 C1b C 4.8300 -24.6400
70 C1b C 3.6400 -25.3400
71 C1a C 2.4500 -24.6400
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 49 50 1
52 50 1 1
53 50 51 2
54 53 52 1
55 53 54 2
56 54 55 1
57 55 56 1
58 56 57 2
59 57 58 1
60 58 59 1
61 59 60 2
62 60 61 1
63 61 62 1
64 62 63 2
65 63 64 1
66 64 65 1
67 65 66 2
68 66 67 1
69 67 68 1
70 68 69 1
71 69 70 1
72 70 71 1
73 52 49 1
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