| Entry |
|
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| Name |
Eicosanoyl-CoA;
Icosanoyl-CoA;
Arachidoyl-CoA
|
|---|
| Formula |
C41H74N7O17P3S
|
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| Exact mass |
1061.4075
|
|---|
| Mol weight |
1062.0492
|
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| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01040 | Biosynthesis of unsaturated fatty acids |
|
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| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C02041 Icosanoyl-CoA
|
|---|
| Other DBs |
|
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| KCF data |
ATOM 69
1 C1b C 41.9300 -36.1200
2 C5a C 43.1900 -35.4200
3 S2a S 44.3800 -36.1200
4 C1b C 45.5700 -35.4200
5 C1b C 46.8300 -36.1200
6 N1b N 48.0200 -35.4200
7 C5a C 49.2100 -36.1200
8 C1b C 50.4700 -35.4200
9 C1b C 51.6600 -36.1200
10 N1b N 52.8500 -35.4200
11 C5a C 54.1100 -36.1200
12 C1c C 55.3000 -35.4200
13 C1d C 56.4900 -36.1200
14 C1b C 57.6800 -35.4200
15 O2b O 58.9400 -36.1200
16 O5a O 43.1900 -34.0200
17 O5a O 49.2100 -37.5200
18 O5a O 54.1100 -37.5200
19 O1a O 55.3000 -34.0200
20 C1a C 56.4900 -34.7200
21 C1a C 56.4900 -37.5200
22 P1b P 60.3400 -36.1200
23 O1c O 61.7400 -36.1200
24 O1c O 60.3400 -37.5200
25 C1y C 53.8300 -31.1500
26 C1y C 55.2300 -31.1500
27 C1y C 55.6500 -29.8200
28 O2x O 54.5300 -28.9800
29 C1y C 53.4100 -29.8200
30 C1b C 56.9800 -29.4000
31 O1a O 52.9900 -32.2700
32 O2b O 56.0700 -32.2700
33 P1b P 57.4700 -32.2700
34 O1c O 57.4700 -30.8700
35 O1c O 58.8700 -32.2700
36 O1c O 57.4700 -33.6700
37 C8y C 49.2800 -28.0000
38 C8y C 49.2800 -29.4000
39 N4y N 51.7300 -29.4000
40 C8x C 51.7300 -28.0000
41 N5x N 50.4700 -27.3000
42 C8y C 48.0900 -27.3000
43 N5x N 46.8300 -28.0000
44 C8x C 46.8300 -29.4000
45 N5x N 48.0900 -30.1000
46 N1a N 48.0900 -25.9000
47 O2b O 58.9400 -29.8200
48 P1b P 60.3400 -29.8200
49 O1c O 60.3400 -28.4200
50 O1c O 61.7400 -29.8200
51 O2c O 60.3400 -33.0400
52 C1b C 40.8100 -35.4900
53 C1b C 39.6900 -36.1200
54 C1b C 38.5700 -35.4900
55 C1b C 37.3800 -36.1200
56 C1b C 36.2600 -35.4900
57 C1b C 35.2100 -36.1200
58 C1b C 33.9500 -35.4200
59 C1b C 32.7600 -36.1200
60 C1b C 31.5700 -35.4200
61 C1b C 30.3800 -36.1200
62 C1b C 29.1900 -35.4200
63 C1b C 28.0000 -36.1200
64 C1b C 26.8100 -35.4200
65 C1b C 25.5500 -36.1200
66 C1b C 24.3600 -35.4200
67 C1b C 23.1700 -36.1200
68 C1b C 21.9800 -35.4200
69 C1a C 20.7900 -36.1200
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 13 14 1
14 14 15 1
15 2 16 2
16 7 17 2
17 11 18 2
18 12 19 1 #Down
19 13 20 1
20 13 21 1
21 15 22 1
22 22 23 2
23 22 24 1
24 25 26 1
25 26 27 1
26 27 28 1
27 28 29 1
28 25 29 1
29 27 30 1 #Down
30 25 31 1 #Up
31 26 32 1 #Up
32 32 33 1
33 33 34 1
34 33 35 1
35 33 36 2
36 37 38 2
37 38 39 1
38 39 40 1
39 40 41 2
40 37 41 1
41 37 42 1
42 42 43 2
43 43 44 1
44 44 45 2
45 38 45 1
46 42 46 1
47 29 39 1 #Down
48 30 47 1
49 47 48 1
50 48 49 1
51 48 50 2
52 48 51 1
53 22 51 1
54 1 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 1
62 59 60 1
63 60 61 1
64 61 62 1
65 62 63 1
66 63 64 1
67 64 65 1
68 65 66 1
69 66 67 1
70 67 68 1
71 68 69 1
|
|---|
