| Entry |
|
|---|
| Name |
(9Z,12Z,15Z)-Octadecatrienoyl-CoA;
alpha-Linolenoyl-CoA
|
|---|
| Formula |
C39H64N7O17P3S
|
|---|
| Exact mass |
1027.3292
|
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| Mol weight |
1027.9484
|
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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
C16162 (9Z,12Z,15Z)-Octadecatrienoyl-CoA
|
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| Other DBs |
|
|---|
| KCF data |
ATOM 67
1 S2a S 24.5700 -25.8300
2 C1b C 25.7600 -25.1300
3 C1b C 27.0200 -25.8300
4 N1b N 28.2100 -25.1300
5 C5a C 29.4000 -25.8300
6 C1b C 30.6600 -25.1300
7 C1b C 31.8500 -25.8300
8 N1b N 33.0400 -25.1300
9 C5a C 34.3000 -25.8300
10 C1c C 35.4900 -25.1300
11 C1d C 36.6800 -25.8300
12 C1b C 37.8700 -25.1300
13 O2b O 39.1300 -25.8300
14 O5a O 29.4000 -27.2300
15 O5a O 34.3000 -27.2300
16 O1a O 35.4900 -23.7300
17 C1a C 36.6800 -24.4300
18 C1a C 36.6800 -27.2300
19 P1b P 40.5300 -25.8300
20 O1c O 41.9300 -25.8300
21 O1c O 40.5300 -27.2300
22 C1y C 34.0200 -20.8600
23 C1y C 35.4200 -20.8600
24 C1y C 35.8400 -19.5300
25 O2x O 34.7200 -18.6900
26 C1y C 33.6000 -19.5300
27 C1b C 37.1700 -19.1100
28 O1a O 33.1800 -21.9800
29 O2b O 36.2600 -21.9800
30 P1b P 37.6600 -21.9800
31 O1c O 37.6600 -20.5800
32 O1c O 39.0600 -21.9800
33 O1c O 37.6600 -23.3800
34 C8y C 29.4700 -17.7100
35 C8y C 29.4700 -19.1100
36 N4y N 31.9200 -19.1100
37 C8x C 31.9200 -17.7100
38 N5x N 30.6600 -17.0100
39 C8y C 28.2800 -17.0100
40 N5x N 27.0200 -17.7100
41 C8x C 27.0200 -19.1100
42 N5x N 28.2800 -19.8100
43 N1a N 28.2800 -15.6100
44 O2b O 39.1300 -19.5300
45 P1b P 40.5300 -19.5300
46 O1c O 40.5300 -18.1300
47 O1c O 41.9300 -19.5300
48 O2c O 40.5300 -22.7500
49 C5a C 23.4500 -25.1300
50 O5a O 23.4500 -23.8700
51 C1b C 22.2600 -25.8300
52 C1b C 21.0700 -25.1300
53 C1b C 19.8800 -25.8300
54 C1b C 18.6900 -25.1300
55 C1b C 17.4300 -25.8300
56 C1b C 16.3100 -25.1300
57 C1b C 15.1200 -25.8300
58 C2b C 13.8600 -25.1300
59 C2b C 12.4600 -25.1300
60 C1b C 11.2700 -25.8300
61 C2b C 10.0800 -25.1300
62 C2b C 8.6800 -25.1300
63 C1b C 7.4200 -25.8300
64 C2b C 6.2300 -25.1300
65 C2b C 4.9000 -25.1300
66 C1b C 3.6400 -25.8300
67 C1a C 2.4500 -25.1300
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 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
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