| Entry |
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| Name |
(6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahexaenoyl-CoA
|
|---|
| Formula |
C45H70N7O17P3S
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| Exact mass |
1105.3762
|
|---|
| Mol weight |
1106.0603
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| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01040 | Biosynthesis of unsaturated fatty acids |
|
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| Module |
| M00861 | beta-Oxidation, peroxisome, VLCFA |
|
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| Enzyme |
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|---|
| Brite |
Lipids [BR:br08002]
FA Fatty acyls
FA07 Fatty esters
FA0705 Fatty acyl CoAs
C16168 (6Z,9Z,12Z,15Z,18Z,21Z)-Tetracosahexaenoyl-CoA
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 73
1 S2a S 32.6200 -23.0300
2 C1b C 33.8100 -22.3300
3 C1b C 35.0700 -23.0300
4 N1b N 36.2600 -22.3300
5 C5a C 37.4500 -23.0300
6 C1b C 38.7100 -22.3300
7 C1b C 39.9000 -23.0300
8 N1b N 41.0900 -22.3300
9 C5a C 42.3500 -23.0300
10 C1c C 43.5400 -22.3300
11 C1d C 44.7300 -23.0300
12 C1b C 45.9200 -22.3300
13 O2b O 47.1800 -23.0300
14 O5a O 37.4500 -24.4300
15 O5a O 42.3500 -24.4300
16 O1a O 43.5400 -20.9300
17 C1a C 44.7300 -21.6300
18 C1a C 44.7300 -24.4300
19 P1b P 48.5800 -23.0300
20 O1c O 49.9800 -23.0300
21 O1c O 48.5800 -24.4300
22 C1y C 42.0700 -18.0600
23 C1y C 43.4700 -18.0600
24 C1y C 43.8900 -16.7300
25 O2x O 42.7700 -15.8900
26 C1y C 41.6500 -16.7300
27 C1b C 45.2200 -16.3100
28 O1a O 41.2300 -19.1800
29 O2b O 44.3100 -19.1800
30 P1b P 45.7100 -19.1800
31 O1c O 45.7100 -17.7800
32 O1c O 47.1100 -19.1800
33 O1c O 45.7100 -20.5800
34 C8y C 37.5200 -14.9100
35 C8y C 37.5200 -16.3100
36 N4y N 39.9700 -16.3100
37 C8x C 39.9700 -14.9100
38 N5x N 38.7100 -14.2100
39 C8y C 36.3300 -14.2100
40 N5x N 35.0700 -14.9100
41 C8x C 35.0700 -16.3100
42 N5x N 36.3300 -17.0100
43 N1a N 36.3300 -12.8100
44 O2b O 47.1800 -16.7300
45 P1b P 48.5800 -16.7300
46 O1c O 48.5800 -15.3300
47 O1c O 49.9800 -16.7300
48 O2c O 48.5800 -19.9500
49 C5a C 31.5000 -22.3300
50 O5a O 31.5000 -21.0700
51 C1b C 30.3100 -23.0300
52 C1b C 29.1200 -22.3300
53 C1b C 27.8600 -23.0300
54 C1b C 26.6700 -22.3300
55 C2b C 25.4800 -23.0300
56 C2b C 24.0800 -23.0300
57 C1b C 22.8900 -22.3300
58 C2b C 21.6300 -23.0300
59 C2b C 20.2300 -23.0300
60 C1b C 19.0400 -22.3300
61 C2b C 17.7800 -23.0300
62 C2b C 16.3800 -23.0300
63 C1b C 15.1200 -22.3300
64 C2b C 13.9300 -23.0300
65 C2b C 12.5300 -23.0300
66 C1b C 11.3400 -22.3300
67 C2b C 10.0800 -23.0300
68 C2b C 8.6800 -23.0300
69 C1b C 7.4900 -22.3300
70 C2b C 6.3000 -23.0300
71 C2b C 4.9000 -23.0300
72 C1b C 3.6400 -22.3300
73 C1a C 2.4500 -23.0300
BOND 75
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 55 54 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 2
65 62 63 1
66 63 64 1
67 64 65 2
68 65 66 1
69 66 67 1
70 67 68 2
71 68 69 1
72 69 70 1
73 70 71 2
74 71 72 1
75 72 73 1
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