| Entry |
|
|---|
| Name |
Docosenoyl-CoA;
(13Z)-Docosenoyl-CoA
|
|---|
| Formula |
C43H76N7O17P3S
|
|---|
| Exact mass |
1087.4231
|
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| Mol weight |
1088.09
|
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| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01040 | Biosynthesis of unsaturated fatty acids |
|
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| Enzyme |
3.1.2.-
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C16531 (13Z)-Docosenoyl-CoA
|
|---|
| Other DBs |
|
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| LinkDB |
|
|---|
| KCF data |
ATOM 71
1 C1b C 25.6200 -21.0700
2 C1b C 24.5000 -20.3700
3 C1b C 23.3100 -21.0700
4 C1b C 22.0500 -20.3700
5 C1b C 20.9300 -21.0700
6 C1b C 19.8100 -20.3700
7 C1b C 18.5500 -21.0700
8 C1b C 17.4300 -20.3700
9 C1b C 16.2400 -21.0700
10 C1b C 14.9800 -20.3700
11 C1b C 13.8600 -21.0700
12 C2b C 12.6700 -20.3700
13 C2b C 11.2700 -20.3700
14 C1b C 10.0800 -21.0700
15 C1b C 8.8900 -20.3700
16 C1b C 7.7000 -21.0700
17 C1b C 6.5100 -20.3700
18 C1b C 5.3200 -21.0700
19 C1b C 4.1300 -20.3700
20 C1b C 2.9400 -21.0700
21 C1a C 1.7500 -20.3700
22 C5a C 26.8800 -20.3700
23 S2a S 28.0700 -21.0700
24 C1b C 29.2600 -20.3700
25 C1b C 30.5200 -21.0700
26 N1b N 31.7100 -20.3700
27 C5a C 32.9000 -21.0700
28 C1b C 34.1600 -20.3700
29 C1b C 35.3500 -21.0700
30 N1b N 36.5400 -20.3700
31 C5a C 37.8000 -21.0700
32 C1c C 38.9900 -20.3700
33 C1d C 40.1800 -21.0700
34 C1b C 41.3700 -20.3700
35 O2b O 42.6300 -21.0700
36 O5a O 26.8800 -18.9700
37 O5a O 32.9000 -22.4700
38 O5a O 37.8000 -22.4700
39 O1a O 38.9900 -18.9700
40 C1a C 40.1800 -19.6700
41 C1a C 40.1800 -22.4700
42 P1b P 44.0300 -21.0700
43 O1c O 45.4300 -21.0700
44 O1c O 44.0300 -22.4700
45 C1y C 37.5200 -16.1000
46 C1y C 38.9200 -16.1000
47 C1y C 39.3400 -14.7700
48 O2x O 38.2200 -13.9300
49 C1y C 37.1000 -14.7700
50 C1b C 40.6700 -14.3500
51 O1a O 36.6800 -17.2200
52 O2b O 39.7600 -17.2200
53 P1b P 41.1600 -17.2200
54 O1c O 41.1600 -15.8200
55 O1c O 42.5600 -17.2200
56 O1c O 41.1600 -18.6200
57 C8y C 32.9700 -12.9500
58 C8y C 32.9700 -14.3500
59 N4y N 35.4200 -14.3500
60 C8x C 35.4200 -12.9500
61 N5x N 34.1600 -12.2500
62 C8y C 31.7800 -12.2500
63 N5x N 30.5200 -12.9500
64 C8x C 30.5200 -14.3500
65 N5x N 31.7800 -15.0500
66 N1a N 31.7800 -10.8500
67 O2b O 42.6300 -14.7700
68 P1b P 44.0300 -14.7700
69 O1c O 44.0300 -13.3700
70 O1c O 45.4300 -14.7700
71 O2c O 44.0300 -17.9900
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 2
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 1 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 33 34 1
34 34 35 1
35 22 36 2
36 27 37 2
37 31 38 2
38 32 39 1 #Down
39 33 40 1
40 33 41 1
41 35 42 1
42 42 43 2
43 42 44 1
44 45 46 1
45 46 47 1
46 47 48 1
47 48 49 1
48 45 49 1
49 47 50 1 #Down
50 45 51 1 #Up
51 46 52 1 #Up
52 52 53 1
53 53 54 1
54 53 55 1
55 53 56 2
56 57 58 2
57 58 59 1
58 59 60 1
59 60 61 2
60 57 61 1
61 57 62 1
62 62 63 2
63 63 64 1
64 64 65 2
65 58 65 1
66 62 66 1
67 49 59 1 #Down
68 50 67 1
69 67 68 1
70 68 69 1
71 68 70 2
72 68 71 1
73 42 71 1
|
|---|
