 | | COMPOUND: C16165 | |
| Entry |
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| Name |
(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoyl-CoA;
(5Z,8Z,11Z,14Z,17Z)-Icosa-5,8,11,14,17-pentaenoyl-CoA
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| Formula |
C41H64N7O17P3S
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| Exact mass |
1051.3292
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| Mol weight |
1051.9698
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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 |
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C16165 (5Z,8Z,11Z,14Z,17Z)-Icosapentaenoyl-CoA
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| Other DBs |
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| KCF data |
ATOM 69
1 S2a S 27.4400 -25.8300
2 C1b C 28.6300 -25.1300
3 C1b C 29.8900 -25.8300
4 N1b N 31.0800 -25.1300
5 C5a C 32.2700 -25.8300
6 C1b C 33.5300 -25.1300
7 C1b C 34.7200 -25.8300
8 N1b N 35.9100 -25.1300
9 C5a C 37.1700 -25.8300
10 C1c C 38.3600 -25.1300
11 C1d C 39.5500 -25.8300
12 C1b C 40.7400 -25.1300
13 O2b O 42.0000 -25.8300
14 O5a O 32.2700 -27.2300
15 O5a O 37.1700 -27.2300
16 O1a O 38.3600 -23.7300
17 C1a C 39.5500 -24.4300
18 C1a C 39.5500 -27.2300
19 P1b P 43.4000 -25.8300
20 O1c O 44.8000 -25.8300
21 O1c O 43.4000 -27.2300
22 C1y C 36.8900 -20.8600
23 C1y C 38.2900 -20.8600
24 C1y C 38.7100 -19.5300
25 O2x O 37.5900 -18.6900
26 C1y C 36.4700 -19.5300
27 C1b C 40.0400 -19.1100
28 O1a O 36.0500 -21.9800
29 O2b O 39.1300 -21.9800
30 P1b P 40.5300 -21.9800
31 O1c O 40.5300 -20.5800
32 O1c O 41.9300 -21.9800
33 O1c O 40.5300 -23.3800
34 C8y C 32.3400 -17.7100
35 C8y C 32.3400 -19.1100
36 N4y N 34.7900 -19.1100
37 C8x C 34.7900 -17.7100
38 N5x N 33.5300 -17.0100
39 C8y C 31.1500 -17.0100
40 N5x N 29.8900 -17.7100
41 C8x C 29.8900 -19.1100
42 N5x N 31.1500 -19.8100
43 N1a N 31.1500 -15.6100
44 O2b O 42.0000 -19.5300
45 P1b P 43.4000 -19.5300
46 O1c O 43.4000 -18.1300
47 O1c O 44.8000 -19.5300
48 O2c O 43.4000 -22.7500
49 C5a C 26.3200 -25.1300
50 O5a O 26.3200 -23.8000
51 C1b C 25.1300 -25.8300
52 C1b C 23.9400 -25.1300
53 C1b C 22.7500 -25.8300
54 C2b C 21.5600 -25.1300
55 C2b C 20.1600 -25.1300
56 C1b C 18.9700 -25.8300
57 C2b C 17.7100 -25.1300
58 C2b C 16.3100 -25.1300
59 C1b C 15.1200 -25.8300
60 C2b C 13.9300 -25.1300
61 C2b C 12.5300 -25.1300
62 C1b C 11.2700 -25.8300
63 C2b C 10.0800 -25.1300
64 C2b C 8.7500 -25.1300
65 C1b C 7.4900 -25.8300
66 C2b C 6.3000 -25.1300
67 C2b C 4.9000 -25.1300
68 C1b C 3.6400 -25.8300
69 C1a C 2.4500 -25.1300
BOND 71
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 2
58 55 56 1
59 56 57 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
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