| Entry |
|
|---|
| Name |
(11Z,14Z)-Icosadienoyl-CoA;
(11Z,14Z)-Icosa-11,14-dienoyl-CoA
|
|---|
| Formula |
C41H70N7O17P3S
|
|---|
| Exact mass |
1057.3762
|
|---|
| Mol weight |
1058.02
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01040 | Biosynthesis of unsaturated fatty acids |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C16180 (11Z,14Z)-Icosadienoyl-CoA
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 69
1 C1b C 23.9400 -21.0000
2 C1b C 22.7500 -20.3000
3 C1b C 21.4900 -21.0000
4 C1b C 20.3000 -20.3000
5 C1b C 19.1100 -21.0000
6 C1b C 17.8500 -20.3000
7 C1b C 16.5900 -21.0000
8 C1b C 15.4700 -20.3000
9 C1b C 14.2800 -21.0000
10 C2b C 13.0200 -20.3000
11 C2b C 11.6200 -20.3000
12 C1b C 10.4300 -21.0000
13 C2b C 9.2400 -20.3000
14 C2b C 7.8400 -20.3000
15 C1b C 6.5800 -21.0000
16 C1b C 5.3900 -20.3000
17 C1b C 4.2000 -21.0000
18 C1b C 3.0100 -20.3000
19 C1a C 1.7500 -21.0000
20 C5a C 25.2000 -20.3000
21 S2a S 26.3900 -21.0000
22 C1b C 27.5800 -20.3000
23 C1b C 28.8400 -21.0000
24 N1b N 30.0300 -20.3000
25 C5a C 31.2200 -21.0000
26 C1b C 32.4800 -20.3000
27 C1b C 33.6700 -21.0000
28 N1b N 34.8600 -20.3000
29 C5a C 36.1200 -21.0000
30 C1c C 37.3100 -20.3000
31 C1d C 38.5000 -21.0000
32 C1b C 39.6900 -20.3000
33 O2b O 40.9500 -21.0000
34 O5a O 25.2000 -18.9000
35 O5a O 31.2200 -22.4000
36 O5a O 36.1200 -22.4000
37 O1a O 37.3100 -18.9000
38 C1a C 38.5000 -19.6000
39 C1a C 38.5000 -22.4000
40 P1b P 42.3500 -21.0000
41 O1c O 43.7500 -21.0000
42 O1c O 42.3500 -22.4000
43 C1y C 35.8400 -16.0300
44 C1y C 37.2400 -16.0300
45 C1y C 37.6600 -14.7000
46 O2x O 36.5400 -13.8600
47 C1y C 35.4200 -14.7000
48 C1b C 38.9900 -14.2800
49 O1a O 35.0000 -17.1500
50 O2b O 38.0800 -17.1500
51 P1b P 39.4800 -17.1500
52 O1c O 39.4800 -15.7500
53 O1c O 40.8800 -17.1500
54 O1c O 39.4800 -18.5500
55 C8y C 31.2900 -12.8800
56 C8y C 31.2900 -14.2800
57 N4y N 33.7400 -14.2800
58 C8x C 33.7400 -12.8800
59 N5x N 32.4800 -12.1800
60 C8y C 30.1000 -12.1800
61 N5x N 28.8400 -12.8800
62 C8x C 28.8400 -14.2800
63 N5x N 30.1000 -14.9800
64 N1a N 30.1000 -10.7800
65 O2b O 40.9500 -14.7000
66 P1b P 42.3500 -14.7000
67 O1c O 42.3500 -13.3000
68 O1c O 43.7500 -14.7000
69 O2c O 42.3500 -17.9200
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 2
11 11 12 1
12 12 13 1
13 13 14 2
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 1 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 24 25 1
25 25 26 1
26 26 27 1
27 27 28 1
28 28 29 1
29 29 30 1
30 30 31 1
31 31 32 1
32 32 33 1
33 20 34 2
34 25 35 2
35 29 36 2
36 30 37 1 #Down
37 31 38 1
38 31 39 1
39 33 40 1
40 40 41 2
41 40 42 1
42 43 44 1
43 44 45 1
44 45 46 1
45 46 47 1
46 43 47 1
47 45 48 1 #Down
48 43 49 1 #Up
49 44 50 1 #Up
50 50 51 1
51 51 52 1
52 51 53 1
53 51 54 2
54 55 56 2
55 56 57 1
56 57 58 1
57 58 59 2
58 55 59 1
59 55 60 1
60 60 61 2
61 61 62 1
62 62 63 2
63 56 63 1
64 60 64 1
65 47 57 1 #Down
66 48 65 1
67 65 66 1
68 66 67 1
69 66 68 2
70 66 69 1
71 40 69 1
|
|---|
