| | COMPOUND: C12146 | |
Entry |
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Name |
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Formula |
C22H35N7O17P3SR
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Structure |
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Comment |
Generic compound in reaction hierarchy
R = C25H51 (Hexacosanoyl-CoA) or its derivatives
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Reaction |
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Enzyme |
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Other DBs |
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KCF data |
ATOM 51
1 S2a S 12.5300 -21.0000
2 C1b C 13.7200 -20.3000
3 C1b C 14.9800 -21.0000
4 N1b N 16.1700 -20.3000
5 C5a C 17.3600 -21.0000
6 C1b C 18.6200 -20.3000
7 C1b C 19.8100 -21.0000
8 N1b N 21.0000 -20.3000
9 C5a C 22.2600 -21.0000
10 C1c C 23.4500 -20.3000
11 C1d C 24.6400 -21.0000
12 C1b C 25.8300 -20.3000
13 O2b O 27.0900 -21.0000
14 O5a O 17.3600 -22.4000
15 O5a O 22.2600 -22.4000
16 O1a O 23.4500 -18.9000
17 C1a C 24.6400 -19.6000
18 C1a C 24.6400 -22.4000
19 P1b P 28.4900 -21.0000
20 O1c O 29.8900 -21.0000
21 O1c O 28.4900 -22.4000
22 C1y C 21.9800 -16.0300
23 C1y C 23.3800 -16.0300
24 C1y C 23.8000 -14.7000
25 O2x O 22.6800 -13.8600
26 C1y C 21.5600 -14.7000
27 C1b C 25.1300 -14.2800
28 O1a O 21.1400 -17.1500
29 O2b O 24.2200 -17.1500
30 P1b P 25.6200 -17.1500
31 O1c O 25.6200 -15.7500
32 O1c O 27.0200 -17.1500
33 O1c O 25.6200 -18.5500
34 C8y C 17.4300 -12.8800
35 C8y C 17.4300 -14.2800
36 N4y N 19.8800 -14.2800
37 C8x C 19.8800 -12.8800
38 N5x N 18.6200 -12.1800
39 C8y C 16.2400 -12.1800
40 N5x N 14.9800 -12.8800
41 C8x C 14.9800 -14.2800
42 N5x N 16.2400 -14.9800
43 N1a N 16.2400 -10.7800
44 O2b O 27.0900 -14.7000
45 P1b P 28.4900 -14.7000
46 O1c O 28.4900 -13.3000
47 O1c O 29.8900 -14.7000
48 O2c O 28.4900 -17.9200
49 C5a C 11.4100 -20.3700
50 O5a O 11.4100 -19.0400
51 R R 10.2900 -21.0000
BOND 53
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
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