| Entry |
|
|---|
| Name |
(6Z,9Z)-Octadecadienoyl-CoA;
6Z,9Z-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
C21935 (6Z,9Z)-Octadecadienoyl-CoA
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 67
1 C1b C 21.1400 -20.5800
2 C5a C 22.4000 -19.8800
3 S2a S 23.5900 -20.5800
4 C1b C 24.7800 -19.8800
5 C1b C 26.0400 -20.5800
6 N1b N 27.2300 -19.8800
7 C5a C 28.4200 -20.5800
8 C1b C 29.6800 -19.8800
9 C1b C 30.8700 -20.5800
10 N1b N 32.0600 -19.8800
11 C5a C 33.3200 -20.5800
12 C1c C 34.5100 -19.8800
13 C1d C 35.7000 -20.5800
14 C1b C 36.8900 -19.8800
15 O2b O 38.1500 -20.5800
16 O5a O 22.4000 -18.4800
17 O5a O 28.4200 -21.9800
18 O5a O 33.3200 -21.9800
19 O1a O 34.5100 -18.4800
20 C1a C 35.7000 -19.1800
21 C1a C 35.7000 -21.9800
22 P1b P 39.5500 -20.5800
23 O1c O 40.9500 -20.5800
24 O1c O 39.5500 -21.9800
25 C1y C 33.0400 -15.6100
26 C1y C 34.4400 -15.6100
27 C1y C 34.8600 -14.2800
28 O2x O 33.7400 -13.4400
29 C1y C 32.6200 -14.2800
30 C1b C 36.1900 -13.8600
31 O1a O 32.2000 -16.7300
32 O2b O 35.2800 -16.7300
33 P1b P 36.6800 -16.7300
34 O1c O 36.6800 -15.3300
35 O1c O 38.0800 -16.7300
36 O1c O 36.6800 -18.1300
37 C8y C 28.4900 -12.4600
38 C8y C 28.4900 -13.8600
39 N4y N 30.9400 -13.8600
40 C8x C 30.9400 -12.4600
41 N5x N 29.6800 -11.7600
42 C8y C 27.3000 -11.7600
43 N5x N 26.0400 -12.4600
44 C8x C 26.0400 -13.8600
45 N5x N 27.3000 -14.5600
46 N1a N 27.3000 -10.3600
47 O2b O 38.1500 -14.2800
48 P1b P 39.5500 -14.2800
49 O1c O 39.5500 -12.8800
50 O1c O 40.9500 -14.2800
51 O2c O 39.5500 -17.5000
52 C1b C 20.0200 -19.9500
53 C1b C 18.8300 -20.6500
54 C1b C 17.6400 -19.9500
55 C2b C 16.4500 -20.6500
56 C2b C 15.0500 -20.6500
57 C1b C 13.8600 -19.9500
58 C2b C 12.6000 -20.6500
59 C2b C 11.2000 -20.6500
60 C1b C 10.0100 -19.9500
61 C1b C 8.8200 -20.6500
62 C1b C 7.6300 -20.0200
63 C1b C 6.4400 -20.6500
64 C1b C 5.3200 -20.0200
65 C1b C 4.1300 -20.6500
66 C1b C 2.9400 -20.0200
67 C1a C 1.7541 -20.7640
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 2
59 56 57 1
60 57 58 1
61 58 59 2
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
|
|---|
