| Entry |
|
|---|
| Name |
Linoleoyl-CoA;
(9Z,12Z)-Octadecadienoyl-CoA
|
|---|
| Formula |
C39H66N7O17P3S
|
|---|
| Exact mass |
1029.3449
|
|---|
| Mol weight |
1029.97
|
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| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01040 | Biosynthesis of unsaturated fatty acids |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C02050 (9Z,12Z)-Octadecadienoyl-CoA
|
|---|
| Other DBs |
|
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| LinkDB |
|
|---|
| KCF data |
ATOM 67
1 C1b C 40.1800 -34.4400
2 C5a C 41.4400 -33.7400
3 S2a S 42.6300 -34.4400
4 C1b C 43.8200 -33.7400
5 C1b C 45.0800 -34.4400
6 N1b N 46.2700 -33.7400
7 C5a C 47.4600 -34.4400
8 C1b C 48.7200 -33.7400
9 C1b C 49.9100 -34.4400
10 N1b N 51.1000 -33.7400
11 C5a C 52.3600 -34.4400
12 C1c C 53.5500 -33.7400
13 C1d C 54.7400 -34.4400
14 C1b C 55.9300 -33.7400
15 O2b O 57.1900 -34.4400
16 O5a O 41.4400 -32.3400
17 O5a O 47.4600 -35.8400
18 O5a O 52.3600 -35.8400
19 O1a O 53.5500 -32.3400
20 C1a C 54.7400 -33.0400
21 C1a C 54.7400 -35.8400
22 P1b P 58.5900 -34.4400
23 O1c O 59.9900 -34.4400
24 O1c O 58.5900 -35.8400
25 C1y C 52.0800 -29.4700
26 C1y C 53.4800 -29.4700
27 C1y C 53.9000 -28.1400
28 O2x O 52.7800 -27.3000
29 C1y C 51.6600 -28.1400
30 C1b C 55.2300 -27.7200
31 O1a O 51.2400 -30.5900
32 O2b O 54.3200 -30.5900
33 P1b P 55.7200 -30.5900
34 O1c O 55.7200 -29.1900
35 O1c O 57.1200 -30.5900
36 O1c O 55.7200 -31.9900
37 C8y C 47.5300 -26.3200
38 C8y C 47.5300 -27.7200
39 N4y N 49.9800 -27.7200
40 C8x C 49.9800 -26.3200
41 N5x N 48.7200 -25.6200
42 C8y C 46.3400 -25.6200
43 N5x N 45.0800 -26.3200
44 C8x C 45.0800 -27.7200
45 N5x N 46.3400 -28.4200
46 N1a N 46.3400 -24.2200
47 O2b O 57.1900 -28.1400
48 P1b P 58.5900 -28.1400
49 O1c O 58.5900 -26.7400
50 O1c O 59.9900 -28.1400
51 O2c O 58.5900 -31.3600
52 C1b C 38.9900 -33.7400
53 C1b C 37.8000 -34.4400
54 C1b C 36.5400 -33.7400
55 C1b C 35.3500 -34.4400
56 C1b C 34.1600 -33.7400
57 C1b C 32.9700 -34.4400
58 C2b C 31.7800 -33.8100
59 C2b C 30.3800 -33.8100
60 C1b C 29.1900 -34.4400
61 C2b C 28.0000 -33.8100
62 C2b C 26.6000 -33.8100
63 C1b C 25.4100 -34.4400
64 C1b C 24.2200 -33.8100
65 C1b C 23.1000 -34.4400
66 C1b C 21.9100 -33.8100
67 C1a C 20.7200 -34.4400
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 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 2
62 59 60 1
63 60 61 1
64 61 62 2
65 62 63 1
66 63 64 1
67 64 65 1
68 65 66 1
69 66 67 1
|
|---|
