Entry |
|
Name |
(7Z,10Z,13Z)-Docosatrienoyl-CoA
|
Formula |
C43H72N7O17P3S
|
Exact mass |
1083.3918
|
Mol weight |
1084.06
|
Structure |
|
Pathway |
map01040 | Biosynthesis of unsaturated fatty acids |
|
Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C21941 (7Z,10Z,13Z)-Docosatrienoyl-CoA
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 71
1 S2a S 28.9800 -20.5800
2 C1b C 30.1700 -19.8800
3 C1b C 31.4300 -20.5800
4 N1b N 32.6200 -19.8800
5 C5a C 33.8100 -20.5800
6 C1b C 35.0700 -19.8800
7 C1b C 36.2600 -20.5800
8 N1b N 37.4500 -19.8800
9 C5a C 38.7100 -20.5800
10 C1c C 39.9000 -19.8800
11 C1d C 41.0900 -20.5800
12 C1b C 42.2800 -19.8800
13 O2b O 43.5400 -20.5800
14 O5a O 33.8100 -21.9800
15 O5a O 38.7100 -21.9800
16 O1a O 39.9000 -18.4800
17 C1a C 41.0900 -19.1800
18 C1a C 41.0900 -21.9800
19 P1b P 44.9400 -20.5800
20 O1c O 46.3400 -20.5800
21 O1c O 44.9400 -21.9800
22 C1y C 38.4300 -15.6100
23 C1y C 39.8300 -15.6100
24 C1y C 40.2500 -14.2800
25 O2x O 39.1300 -13.4400
26 C1y C 38.0100 -14.2800
27 C1b C 41.5800 -13.8600
28 O1a O 37.5900 -16.7300
29 O2b O 40.6700 -16.7300
30 P1b P 42.0700 -16.7300
31 O1c O 42.0700 -15.3300
32 O1c O 43.4700 -16.7300
33 O1c O 42.0700 -18.1300
34 C8y C 33.8800 -12.4600
35 C8y C 33.8800 -13.8600
36 N4y N 36.3300 -13.8600
37 C8x C 36.3300 -12.4600
38 N5x N 35.0700 -11.7600
39 C8y C 32.6900 -11.7600
40 N5x N 31.4300 -12.4600
41 C8x C 31.4300 -13.8600
42 N5x N 32.6900 -14.5600
43 N1a N 32.6900 -10.3600
44 O2b O 43.5400 -14.2800
45 P1b P 44.9400 -14.2800
46 O1c O 44.9400 -12.8800
47 O1c O 46.3400 -14.2800
48 O2c O 44.9400 -17.5000
49 C5a C 27.8600 -19.8800
50 O5a O 27.8600 -18.5500
51 C1b C 26.6700 -20.5800
52 C1b C 25.4800 -19.8800
53 C1b C 24.2200 -20.5800
54 C1b C 23.0300 -19.8800
55 C1b C 21.8400 -20.5800
56 C2b C 20.6500 -19.8800
57 C2b C 19.2500 -19.8800
58 C1b C 18.0600 -20.5800
59 C2b C 16.8000 -19.8800
60 C2b C 15.4000 -19.8800
61 C1b C 14.2100 -20.5800
62 C2b C 13.0200 -19.8800
63 C2b C 11.6900 -19.8800
64 C1b C 10.4300 -20.5800
65 C1b C 9.2400 -19.8800
66 C1b C 8.0276 -20.5800
67 C1b C 6.8151 -19.8800
68 C1b C 5.6027 -20.5800
69 C1b C 4.3903 -19.8800
70 C1b C 3.1778 -20.5800
71 C1a C 1.9654 -19.8800
BOND 73
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 2
60 57 58 1
61 58 59 1
62 59 60 2
63 60 61 1
64 61 62 1
65 62 63 2
66 63 64 1
67 64 65 1
68 65 66 1
69 66 67 1
70 67 68 1
71 68 69 1
72 69 70 1
73 70 71 1
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