| Entry |
|
|---|
| Name |
(2E,6Z,9Z,12Z,15Z,18Z)-Tetracosahexaenoyl-CoA;
(2E,6Z,9Z,12Z,15Z,18Z)-Tetracosa-2,6,9,12,15,18-hexaenoyl-CoA
|
|---|
| Formula |
C45H70N7O17P3S
|
|---|
| Exact mass |
1105.3762
|
|---|
| Mol weight |
1106.06
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
|
|---|
| Module |
| M00861 | beta-Oxidation, peroxisome, VLCFA |
|
|---|
| Enzyme |
|
|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C16387 (2E,6Z,9Z,12Z,15Z,18Z)-Tetracosahexaenoyl-CoA
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 73
1 C2b C 29.4000 -21.0000
2 C2b C 28.2100 -20.3000
3 C1b C 26.9500 -21.0000
4 C1b C 25.7600 -20.3000
5 C2b C 24.5700 -21.0000
6 C2b C 23.1700 -21.0000
7 C1b C 21.9800 -20.3000
8 C2b C 20.7200 -21.0000
9 C2b C 19.3200 -21.0000
10 C1b C 18.1300 -20.3000
11 C2b C 16.8700 -21.0000
12 C2b C 15.4700 -21.0000
13 C1b C 14.2100 -20.3000
14 C2b C 13.0200 -21.0000
15 C2b C 11.6200 -21.0000
16 C1b C 10.4300 -20.3000
17 C2b C 9.1700 -21.0000
18 C2b C 7.7700 -21.0000
19 C1b C 6.5800 -20.3000
20 C1b C 5.3900 -21.0000
21 C1b C 4.1300 -20.3000
22 C1b C 2.9400 -21.0000
23 C1a C 1.7500 -20.3000
24 C5a C 30.6600 -20.3000
25 S2a S 31.8500 -21.0000
26 C1b C 33.0400 -20.3000
27 C1b C 34.3000 -21.0000
28 N1b N 35.4900 -20.3000
29 C5a C 36.6800 -21.0000
30 C1b C 37.9400 -20.3000
31 C1b C 39.1300 -21.0000
32 N1b N 40.3200 -20.3000
33 C5a C 41.5800 -21.0000
34 C1c C 42.7700 -20.3000
35 C1d C 43.9600 -21.0000
36 C1b C 45.1500 -20.3000
37 O2b O 46.4100 -21.0000
38 O5a O 30.6600 -18.9000
39 O5a O 36.6800 -22.4000
40 O5a O 41.5800 -22.4000
41 O1a O 42.7700 -18.9000
42 C1a C 43.9600 -19.6000
43 C1a C 43.9600 -22.4000
44 P1b P 47.8100 -21.0000
45 O1c O 49.2100 -21.0000
46 O1c O 47.8100 -22.4000
47 C1y C 41.3000 -16.0300
48 C1y C 42.7000 -16.0300
49 C1y C 43.1200 -14.7000
50 O2x O 42.0000 -13.8600
51 C1y C 40.8800 -14.7000
52 C1b C 44.4500 -14.2800
53 O1a O 40.4600 -17.1500
54 O2b O 43.5400 -17.1500
55 P1b P 44.9400 -17.1500
56 O1c O 44.9400 -15.7500
57 O1c O 46.3400 -17.1500
58 O1c O 44.9400 -18.5500
59 C8y C 36.7500 -12.8800
60 C8y C 36.7500 -14.2800
61 N4y N 39.2000 -14.2800
62 C8x C 39.2000 -12.8800
63 N5x N 37.9400 -12.1800
64 C8y C 35.5600 -12.1800
65 N5x N 34.3000 -12.8800
66 C8x C 34.3000 -14.2800
67 N5x N 35.5600 -14.9800
68 N1a N 35.5600 -10.7800
69 O2b O 46.4100 -14.7000
70 P1b P 47.8100 -14.7000
71 O1c O 47.8100 -13.3000
72 O1c O 49.2100 -14.7000
73 O2c O 47.8100 -17.9200
BOND 75
1 1 2 2
2 2 3 1
3 3 4 1
4 5 4 1
5 5 6 2
6 6 7 1
7 7 8 1
8 8 9 2
9 9 10 1
10 10 11 1
11 11 12 2
12 12 13 1
13 13 14 1
14 14 15 2
15 15 16 1
16 16 17 1
17 17 18 2
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 1 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 35 36 1
36 36 37 1
37 24 38 2
38 29 39 2
39 33 40 2
40 34 41 1 #Down
41 35 42 1
42 35 43 1
43 37 44 1
44 44 45 2
45 44 46 1
46 47 48 1
47 48 49 1
48 49 50 1
49 50 51 1
50 47 51 1
51 49 52 1 #Down
52 47 53 1 #Up
53 48 54 1 #Up
54 54 55 1
55 55 56 1
56 55 57 1
57 55 58 2
58 59 60 2
59 60 61 1
60 61 62 1
61 62 63 2
62 59 63 1
63 59 64 1
64 64 65 2
65 65 66 1
66 66 67 2
67 60 67 1
68 64 68 1
69 51 61 1 #Down
70 52 69 1
71 69 70 1
72 70 71 1
73 70 72 2
74 70 73 1
75 44 73 1
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