| Entry |
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| Name |
(6Z,9Z,12Z,15Z,18Z)-Tetracosapentaenoyl-CoA
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| Formula |
C45H72N7O17P3S
|
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| Exact mass |
1107.3918
|
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| Mol weight |
1108.08
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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
C16172 (6Z,9Z,12Z,15Z,18Z)-Tetracosapentaenoyl-CoA
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 73
1 S2a S 32.4100 -22.6800
2 C1b C 33.6000 -21.9800
3 C1b C 34.8600 -22.6800
4 N1b N 36.0500 -21.9800
5 C5a C 37.2400 -22.6800
6 C1b C 38.5000 -21.9800
7 C1b C 39.6900 -22.6800
8 N1b N 40.8800 -21.9800
9 C5a C 42.1400 -22.6800
10 C1c C 43.3300 -21.9800
11 C1d C 44.5200 -22.6800
12 C1b C 45.7100 -21.9800
13 O2b O 46.9700 -22.6800
14 O5a O 37.2400 -24.0800
15 O5a O 42.1400 -24.0800
16 O1a O 43.3300 -20.5800
17 C1a C 44.5200 -21.2800
18 C1a C 44.5200 -24.0800
19 P1b P 48.3700 -22.6800
20 O1c O 49.7700 -22.6800
21 O1c O 48.3700 -24.0800
22 C1y C 41.8600 -17.7100
23 C1y C 43.2600 -17.7100
24 C1y C 43.6800 -16.3800
25 O2x O 42.5600 -15.5400
26 C1y C 41.4400 -16.3800
27 C1b C 45.0100 -15.9600
28 O1a O 41.0200 -18.8300
29 O2b O 44.1000 -18.8300
30 P1b P 45.5000 -18.8300
31 O1c O 45.5000 -17.4300
32 O1c O 46.9000 -18.8300
33 O1c O 45.5000 -20.2300
34 C8y C 37.3100 -14.5600
35 C8y C 37.3100 -15.9600
36 N4y N 39.7600 -15.9600
37 C8x C 39.7600 -14.5600
38 N5x N 38.5000 -13.8600
39 C8y C 36.1200 -13.8600
40 N5x N 34.8600 -14.5600
41 C8x C 34.8600 -15.9600
42 N5x N 36.1200 -16.6600
43 N1a N 36.1200 -12.4600
44 O2b O 46.9700 -16.3800
45 P1b P 48.3700 -16.3800
46 O1c O 48.3700 -14.9800
47 O1c O 49.7700 -16.3800
48 O2c O 48.3700 -19.6000
49 C5a C 31.2900 -21.9800
50 O5a O 31.2900 -20.7200
51 C1b C 30.1000 -22.6800
52 C1b C 28.9100 -21.9800
53 C1b C 27.6500 -22.6800
54 C1b C 26.4600 -21.9800
55 C2b C 25.2700 -22.6800
56 C2b C 23.8700 -22.6800
57 C1b C 22.6800 -21.9800
58 C2b C 21.4200 -22.6800
59 C2b C 20.0200 -22.6800
60 C1b C 18.8300 -21.9800
61 C2b C 17.5700 -22.6800
62 C2b C 16.1700 -22.6800
63 C1b C 14.9100 -21.9800
64 C2b C 13.7200 -22.6800
65 C2b C 12.3200 -22.6800
66 C1b C 11.1300 -21.9800
67 C2b C 9.8700 -22.6800
68 C2b C 8.4700 -22.6800
69 C1b C 7.2800 -21.9800
70 C1b C 6.0900 -22.6800
71 C1b C 4.8300 -21.9800
72 C1b C 3.6400 -22.6800
73 C1a C 2.4500 -21.9800
BOND 75
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 55 54 1
58 55 56 2
59 56 57 1
60 57 58 1
61 58 59 2
62 59 60 1
63 60 61 1
64 61 62 2
65 62 63 1
66 63 64 1
67 64 65 2
68 65 66 1
69 66 67 1
70 67 68 2
71 68 69 1
72 69 70 1
73 70 71 1
74 71 72 1
75 72 73 1
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