| Entry |
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| Name |
(8Z,11Z,14Z,17Z,20Z)-Hexacosapentaenoyl-CoA
|
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| Formula |
C47H76N7O17P3S
|
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| Exact mass |
1135.4231
|
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| Mol weight |
1136.13
|
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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
C21965 (8Z,11Z,14Z,17Z,20Z)-Hexacosapentaenoyl-CoA
|
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 75
1 S2a S 33.8800 -20.1600
2 C1b C 35.0000 -19.5300
3 C1b C 36.1900 -20.1600
4 N1b N 37.3100 -19.5300
5 C5a C 38.4300 -20.1600
6 C1b C 39.6200 -19.5300
7 C1b C 40.8100 -20.1600
8 N1b N 41.9300 -19.5300
9 C5a C 43.1200 -20.1600
10 C1c C 44.2400 -19.5300
11 C1d C 45.3600 -20.1600
12 C1b C 46.4800 -19.5300
13 O2b O 47.7400 -20.1600
14 O5a O 38.4300 -21.4900
15 O5a O 43.1200 -21.4900
16 O1a O 44.2400 -18.2000
17 C1a C 45.3600 -18.8300
18 C1a C 45.3600 -21.4900
19 P1b P 49.0700 -20.1600
20 O1c O 50.4000 -20.1600
21 O1c O 49.0700 -21.4900
22 C1y C 42.8400 -15.4700
23 C1y C 44.1700 -15.4700
24 C1y C 44.5900 -14.2100
25 O2x O 43.5400 -13.3700
26 C1y C 42.4200 -14.2100
27 C1b C 45.8500 -13.7900
28 O1a O 42.0700 -16.5200
29 O2b O 44.9400 -16.5200
30 P1b P 46.3400 -16.5200
31 O1c O 46.3400 -15.1900
32 O1c O 47.6700 -16.5200
33 O1c O 46.3400 -17.8500
34 C8y C 38.5000 -12.4600
35 C8y C 38.5000 -13.7900
36 N4y N 40.8100 -13.7900
37 C8x C 40.8100 -12.4600
38 N5x N 39.6200 -11.7600
39 C8y C 37.3800 -11.7600
40 N5x N 36.1900 -12.4600
41 C8x C 36.1900 -13.7900
42 N5x N 37.3800 -14.4200
43 N1a N 37.3800 -10.4300
44 O2b O 47.7400 -14.2100
45 P1b P 49.0700 -14.2100
46 O1c O 49.0700 -12.8800
47 O1c O 50.4000 -14.2100
48 O2c O 49.0700 -17.2200
49 C5a C 32.7600 -19.5300
50 O5a O 32.7600 -18.3400
51 C1b C 31.6400 -20.1600
52 C1b C 30.5200 -19.5300
53 C1b C 29.3300 -20.2300
54 C1b C 28.0700 -19.5300
55 C1b C 26.8800 -20.2300
56 C1b C 25.6900 -19.5300
57 C2b C 24.5700 -20.1600
58 C2b C 23.1700 -20.1600
59 C1b C 22.0500 -19.5300
60 C2b C 20.8600 -20.1600
61 C2b C 19.5300 -20.1600
62 C1b C 18.4100 -19.5300
63 C2b C 17.2200 -20.1600
64 C2b C 15.8900 -20.1600
65 C1b C 14.7000 -19.5300
66 C2b C 13.5800 -20.1600
67 C2b C 12.1800 -20.1600
68 C1b C 11.0600 -19.5300
69 C2b C 9.8700 -20.1600
70 C2b C 8.5400 -20.1600
71 C1b C 7.4200 -19.5300
72 C1b C 6.3000 -20.1600
73 C1b C 5.1100 -19.5300
74 C1b C 3.9200 -20.1600
75 C1a C 2.8000 -19.5300
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 1
76 73 74 1
77 74 75 1
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