 | | COMPOUND: C21083 | |
Entry |
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Name |
(5Z,11Z,14Z,17Z)-Icosa-5,11,14,17-tetraenoyl-CoA
|
Formula |
C41H66N7O17P3S
|
Exact mass |
1053.3449
|
Mol weight |
1053.9857
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Structure |

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Reaction |
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Enzyme |
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Other DBs |
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KCF data |
ATOM 69
1 C1b C 28.9800 -20.7900
2 C1b C 27.7200 -21.4900
3 C1b C 30.1700 -21.4900
4 C5a C 31.4300 -20.7900
5 S2a S 32.6200 -21.4900
6 C1b C 33.8100 -20.7900
7 C1b C 35.0700 -21.4900
8 N1b N 36.2600 -20.7900
9 C5a C 37.4500 -21.4900
10 C1b C 38.7100 -20.7900
11 C1b C 39.9000 -21.4900
12 N1b N 41.0900 -20.7900
13 C5a C 42.3500 -21.4900
14 C1c C 43.5400 -20.7900
15 C1d C 44.7300 -21.4900
16 C1b C 45.9200 -20.7900
17 O2b O 47.1800 -21.4900
18 O5a O 31.4300 -19.3900
19 O5a O 37.4500 -22.8900
20 O5a O 42.3500 -22.8900
21 O1a O 43.5400 -19.3900
22 C1a C 44.7300 -20.0900
23 C1a C 44.7300 -22.8900
24 P1b P 48.5800 -21.4900
25 O1c O 49.9800 -21.4900
26 O1c O 48.5800 -22.8900
27 C1y C 42.0700 -16.5200
28 C1y C 43.4700 -16.5200
29 C1y C 43.8900 -15.1900
30 O2x O 42.7700 -14.3500
31 C1y C 41.6500 -15.1900
32 C1b C 45.2200 -14.7700
33 O1a O 41.2300 -17.6400
34 O2b O 44.3100 -17.6400
35 P1b P 45.7100 -17.6400
36 O1c O 45.7100 -16.2400
37 O1c O 47.1100 -17.6400
38 O1c O 45.7100 -19.0400
39 C8y C 37.5200 -13.3700
40 C8y C 37.5200 -14.7700
41 N4y N 39.9700 -14.7700
42 C8x C 39.9700 -13.3700
43 N5x N 38.7100 -12.6700
44 C8y C 36.3300 -12.6700
45 N5x N 35.0700 -13.3700
46 C8x C 35.0700 -14.7700
47 N5x N 36.3300 -15.4700
48 N1a N 36.3300 -11.2700
49 O2b O 47.1800 -15.1900
50 P1b P 48.5800 -15.1900
51 O1c O 48.5800 -13.7900
52 O1c O 49.9800 -15.1900
53 O2c O 48.5800 -18.4100
54 C2b C 26.5193 -20.7701
55 C2b C 25.1193 -20.7701
56 C1b C 23.9894 -21.5500
57 C1b C 22.7976 -20.8600
58 C1b C 21.5851 -21.5600
59 C1b C 20.3727 -20.8600
60 C2b C 19.1603 -21.5600
61 C2b C 17.7603 -21.5600
62 C1b C 16.5478 -20.8600
63 C2b C 15.3354 -21.5600
64 C2b C 13.9354 -21.5600
65 C1b C 12.7230 -20.8600
66 C2b C 11.5234 -21.5527
67 C2b C 10.1234 -21.5527
68 C1b C 8.9110 -20.8527
69 C1a C 7.6797 -21.5637
BOND 71
1 1 2 1
2 1 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 15 16 1
16 16 17 1
17 4 18 2
18 9 19 2
19 13 20 2
20 14 21 1 #Down
21 15 22 1
22 15 23 1
23 17 24 1
24 24 25 2
25 24 26 1
26 27 28 1
27 28 29 1
28 29 30 1
29 30 31 1
30 27 31 1
31 29 32 1 #Down
32 27 33 1 #Up
33 28 34 1 #Up
34 34 35 1
35 35 36 1
36 35 37 1
37 35 38 2
38 39 40 2
39 40 41 1
40 41 42 1
41 42 43 2
42 39 43 1
43 39 44 1
44 44 45 2
45 45 46 1
46 46 47 2
47 40 47 1
48 44 48 1
49 31 41 1 #Down
50 32 49 1
51 49 50 1
52 50 51 1
53 50 52 2
54 50 53 1
55 24 53 1
56 2 54 1
57 54 55 2
58 55 56 1
59 56 57 1
60 57 58 1
61 58 59 1
62 59 60 1
63 60 61 2
64 61 62 1
65 62 63 1
66 63 64 2
67 64 65 1
68 65 66 1
69 66 67 2
70 67 68 1
71 68 69 1
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