| Entry |
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| Name |
(6Z,9Z,12Z,15Z)-Octadecatetraenoyl-CoA;
Stearidonoyl-CoA
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| Formula |
C39H62N7O17P3S
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| Exact mass |
1025.3136
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| Mol weight |
1025.9326
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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
C16163 (6Z,9Z,12Z,15Z)-Octadecatetraenoyl-CoA
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 67
1 S2a S 25.0600 -22.9600
2 C1b C 26.2500 -22.2600
3 C1b C 27.5100 -22.9600
4 N1b N 28.7000 -22.2600
5 C5a C 29.8900 -22.9600
6 C1b C 31.1500 -22.2600
7 C1b C 32.3400 -22.9600
8 N1b N 33.5300 -22.2600
9 C5a C 34.7900 -22.9600
10 C1c C 35.9800 -22.2600
11 C1d C 37.1700 -22.9600
12 C1b C 38.3600 -22.2600
13 O2b O 39.6200 -22.9600
14 O5a O 29.8900 -24.3600
15 O5a O 34.7900 -24.3600
16 O1a O 35.9800 -20.8600
17 C1a C 37.1700 -21.5600
18 C1a C 37.1700 -24.3600
19 P1b P 41.0200 -22.9600
20 O1c O 42.4200 -22.9600
21 O1c O 41.0200 -24.3600
22 C1y C 34.5100 -17.9900
23 C1y C 35.9100 -17.9900
24 C1y C 36.3300 -16.6600
25 O2x O 35.2100 -15.8200
26 C1y C 34.0900 -16.6600
27 C1b C 37.6600 -16.2400
28 O1a O 33.6700 -19.1100
29 O2b O 36.7500 -19.1100
30 P1b P 38.1500 -19.1100
31 O1c O 38.1500 -17.7100
32 O1c O 39.5500 -19.1100
33 O1c O 38.1500 -20.5100
34 C8y C 29.9600 -14.8400
35 C8y C 29.9600 -16.2400
36 N4y N 32.4100 -16.2400
37 C8x C 32.4100 -14.8400
38 N5x N 31.1500 -14.1400
39 C8y C 28.7700 -14.1400
40 N5x N 27.5100 -14.8400
41 C8x C 27.5100 -16.2400
42 N5x N 28.7700 -16.9400
43 N1a N 28.7700 -12.7400
44 O2b O 39.6200 -16.6600
45 P1b P 41.0200 -16.6600
46 O1c O 41.0200 -15.2600
47 O1c O 42.4200 -16.6600
48 O2c O 41.0200 -19.8800
49 C5a C 23.9400 -22.2600
50 O5a O 24.0100 -21.0000
51 C1b C 22.7500 -22.9600
52 C1b C 21.5600 -22.2600
53 C1b C 20.3700 -22.9600
54 C1b C 19.1800 -22.2600
55 C2b C 17.9200 -22.9600
56 C2b C 16.5200 -22.9600
57 C1b C 15.3300 -22.2600
58 C2b C 14.0700 -22.9600
59 C2b C 12.6700 -22.9600
60 C1b C 11.4100 -22.2600
61 C2b C 10.2200 -22.9600
62 C2b C 8.8200 -22.9600
63 C1b C 7.6300 -22.2600
64 C2b C 6.3700 -22.9600
65 C2b C 4.9700 -22.9600
66 C1b C 3.7100 -22.2600
67 C1a C 2.5200 -22.9600
BOND 69
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 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
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