 | | COMPOUND: C16166 | |
| Entry |
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| Name |
(7Z,10Z,13Z,16Z,19Z)-Docosapentaenoyl-CoA
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| Formula |
C43H68N7O17P3S
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| Exact mass |
1079.3605
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| Mol weight |
1080.023
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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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| Enzyme |
3.1.2.-
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C16166 (7Z,10Z,13Z,16Z,19Z)-Docosapentaenoyl-CoA
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| Other DBs |
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| KCF data |
ATOM 71
1 S2a S 29.8900 -20.7900
2 C1b C 31.0800 -20.0900
3 C1b C 32.3400 -20.7900
4 N1b N 33.5300 -20.0900
5 C5a C 34.7200 -20.7900
6 C1b C 35.9800 -20.0900
7 C1b C 37.1700 -20.7900
8 N1b N 38.3600 -20.0900
9 C5a C 39.6200 -20.7900
10 C1c C 40.8100 -20.0900
11 C1d C 42.0000 -20.7900
12 C1b C 43.1900 -20.0900
13 O2b O 44.4500 -20.7900
14 O5a O 34.7200 -22.1900
15 O5a O 39.6200 -22.1900
16 O1a O 40.8100 -18.6900
17 C1a C 42.0000 -19.3900
18 C1a C 42.0000 -22.1900
19 P1b P 45.8500 -20.7900
20 O1c O 47.2500 -20.7900
21 O1c O 45.8500 -22.1900
22 C1y C 39.3400 -15.8200
23 C1y C 40.7400 -15.8200
24 C1y C 41.1600 -14.4900
25 O2x O 40.0400 -13.6500
26 C1y C 38.9200 -14.4900
27 C1b C 42.4900 -14.0700
28 O1a O 38.5000 -16.9400
29 O2b O 41.5800 -16.9400
30 P1b P 42.9800 -16.9400
31 O1c O 42.9800 -15.5400
32 O1c O 44.3800 -16.9400
33 O1c O 42.9800 -18.3400
34 C8y C 34.7900 -12.6700
35 C8y C 34.7900 -14.0700
36 N4y N 37.2400 -14.0700
37 C8x C 37.2400 -12.6700
38 N5x N 35.9800 -11.9700
39 C8y C 33.6000 -11.9700
40 N5x N 32.3400 -12.6700
41 C8x C 32.3400 -14.0700
42 N5x N 33.6000 -14.7700
43 N1a N 33.6000 -10.5700
44 O2b O 44.4500 -14.4900
45 P1b P 45.8500 -14.4900
46 O1c O 45.8500 -13.0900
47 O1c O 47.2500 -14.4900
48 O2c O 45.8500 -17.7100
49 C5a C 28.7700 -20.0900
50 O5a O 28.7700 -18.7600
51 C1b C 27.5800 -20.7900
52 C1b C 26.3900 -20.0900
53 C1b C 25.1300 -20.7900
54 C1b C 23.9400 -20.0900
55 C1b C 22.7500 -20.7900
56 C2b C 21.5600 -20.0900
57 C2b C 20.1600 -20.0900
58 C1b C 18.9700 -20.7900
59 C2b C 17.7100 -20.0900
60 C2b C 16.3100 -20.0900
61 C1b C 15.1200 -20.7900
62 C2b C 13.9300 -20.0900
63 C2b C 12.5300 -20.0900
64 C1b C 11.2700 -20.7900
65 C2b C 10.0800 -20.0900
66 C2b C 8.7500 -20.0900
67 C1b C 7.4900 -20.7900
68 C2b C 6.3000 -20.0900
69 C2b C 4.9000 -20.0900
70 C1b C 3.6400 -20.7900
71 C1a C 2.4500 -20.0900
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 52 53 1
56 53 54 1
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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