| Entry |
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| Name |
(9Z,12Z,15Z,18Z,21Z)-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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| Enzyme |
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| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C16167 (9Z,12Z,15Z,18Z,21Z)-Tetracosapentaenoyl-CoA
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 73
1 S2a S 32.2700 -23.6600
2 C1b C 33.4600 -22.9600
3 C1b C 34.7200 -23.6600
4 N1b N 35.9100 -22.9600
5 C5a C 37.1000 -23.6600
6 C1b C 38.3600 -22.9600
7 C1b C 39.5500 -23.6600
8 N1b N 40.7400 -22.9600
9 C5a C 42.0000 -23.6600
10 C1c C 43.1900 -22.9600
11 C1d C 44.3800 -23.6600
12 C1b C 45.5700 -22.9600
13 O2b O 46.8300 -23.6600
14 O5a O 37.1000 -25.0600
15 O5a O 42.0000 -25.0600
16 O1a O 43.1900 -21.5600
17 C1a C 44.3800 -22.2600
18 C1a C 44.3800 -25.0600
19 P1b P 48.2300 -23.6600
20 O1c O 49.6300 -23.6600
21 O1c O 48.2300 -25.0600
22 C1y C 41.7200 -18.6900
23 C1y C 43.1200 -18.6900
24 C1y C 43.5400 -17.3600
25 O2x O 42.4200 -16.5200
26 C1y C 41.3000 -17.3600
27 C1b C 44.8700 -16.9400
28 O1a O 40.8800 -19.8100
29 O2b O 43.9600 -19.8100
30 P1b P 45.3600 -19.8100
31 O1c O 45.3600 -18.4100
32 O1c O 46.7600 -19.8100
33 O1c O 45.3600 -21.2100
34 C8y C 37.1700 -15.5400
35 C8y C 37.1700 -16.9400
36 N4y N 39.6200 -16.9400
37 C8x C 39.6200 -15.5400
38 N5x N 38.3600 -14.8400
39 C8y C 35.9800 -14.8400
40 N5x N 34.7200 -15.5400
41 C8x C 34.7200 -16.9400
42 N5x N 35.9800 -17.6400
43 N1a N 35.9800 -13.4400
44 O2b O 46.8300 -17.3600
45 P1b P 48.2300 -17.3600
46 O1c O 48.2300 -15.9600
47 O1c O 49.6300 -17.3600
48 O2c O 48.2300 -20.5800
49 C5a C 31.1500 -22.9600
50 O5a O 31.1500 -21.6300
51 C1b C 29.9600 -23.6600
52 C1b C 28.7700 -22.9600
53 C1b C 27.5100 -23.6600
54 C1b C 26.3200 -22.9600
55 C1b C 25.0600 -23.6600
56 C1b C 23.8700 -22.9600
57 C1b C 22.6800 -23.6600
58 C2b C 21.4900 -22.9600
59 C2b C 20.0900 -22.9600
60 C1b C 18.9000 -23.6600
61 C2b C 17.7100 -22.9600
62 C2b C 16.3100 -22.9600
63 C1b C 15.1200 -23.6600
64 C2b C 13.9300 -22.9600
65 C2b C 12.5300 -22.9600
66 C1b C 11.2700 -23.6600
67 C2b C 10.0800 -22.9600
68 C2b C 8.7500 -22.9600
69 C1b C 7.4900 -23.6600
70 C2b C 6.3000 -22.9600
71 C2b C 4.9000 -22.9600
72 C1b C 3.6400 -23.6600
73 C1a C 2.4500 -22.9600
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 54 55 1
58 55 56 1
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 2
74 71 72 1
75 72 73 1
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