| | COMPOUND: C17027 | |
Entry |
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Name |
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Formula |
C22H36N3O12PR2(C5H8O6PR)n
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Structure |
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Reaction |
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Pathway |
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Enzyme |
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Other DBs |
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KCF data |
ATOM 53
1 C1y C 25.5306 -13.8660
2 C1y C 25.1327 -12.6328
3 C1y C 26.8590 -13.8660
4 O2b O 24.6171 -15.5530
5 O2x O 26.1752 -11.8707
6 C1b C 24.4995 -11.3158
7 C1y C 27.2290 -12.6497
8 O1a O 27.6268 -14.9084
9 P1b P 24.6171 -16.8588
10 O2b O 23.1992 -11.3158
11 R R 28.4844 -12.2574
12 O2b O 27.2008 -16.8700
13 O1c O 24.6171 -18.1481
14 O1c O 23.3168 -16.8588
15 P1b P 21.0468 -11.3158
16 C1b C 28.6581 -16.8700
17 O2b O 21.0468 -10.0212
18 O1c O 21.0468 -12.6161
19 O1c O 19.7465 -11.3158
20 C1y C 29.5493 -18.1703
21 C1y C 21.0468 -8.7264
22 C1y C 29.9584 -19.4035
23 O2x O 30.5917 -17.4137
24 C1y C 20.6434 -7.4877
25 C1y C 22.3753 -8.7264
26 C1y C 31.2812 -19.4035
27 O7a O 29.0584 -20.8110
28 C1y C 31.6566 -18.1872
29 O2x O 21.6915 -6.7311
30 C1b C 20.0268 -6.2435
31 C1y C 22.7452 -7.5046
32 O1a O 23.1431 -9.7689
33 O1a O 32.0545 -20.4458
34 R R 32.9009 -17.7893
35 O1a O 18.7322 -6.2435
36 R R 23.9949 -7.1178
37 C7a C 27.8240 -20.1504
38 C1c C 26.6348 -20.8890
39 O6a O 27.7790 -18.7511
40 C1b C 25.4004 -20.2283
41 C1b C 24.2111 -20.9670
42 N1a N 26.6797 -22.2883
43 C1b C 22.9768 -20.3063
44 C1b C 21.7783 -21.0508
45 N1b N 20.5456 -20.3911
46 C5a C 19.3906 -21.1085
47 C1y C 18.1721 -20.4602
48 O5a O 19.3669 -22.5392
49 N2x N 17.7382 -19.1184
50 C2x C 16.3279 -19.1164
51 C1x C 15.8902 -20.4570
52 C1y C 17.0300 -21.2876
53 C1a C 17.0281 -22.6922
BOND 56
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 3 8 1 #Down
8 4 9 1
9 6 10 1
10 7 11 1 #Up
11 9 12 1
12 9 13 1
13 9 14 2
14 10 15 1
15 12 16 1
16 15 17 1
17 15 18 1
18 15 19 2
19 20 16 1 #Up
20 21 17 1 #Down
21 20 22 1
22 20 23 1
23 21 24 1
24 21 25 1
25 22 26 1
26 22 27 1 #Down
27 23 28 1
28 24 29 1
29 24 30 1 #Up
30 25 31 1
31 25 32 1 #Down
32 26 33 1 #Down
33 28 34 1 #Up
34 30 35 1
35 31 36 1 #Up
36 5 7 1
37 26 28 1
38 29 31 1
39 27 37 1
40 37 38 1
41 37 39 2
42 38 40 1
43 40 41 1
44 38 42 1 #Up
45 41 43 1
46 43 44 1
47 44 45 1
48 45 46 1
49 47 46 1 #Up
50 46 48 2
51 47 49 1
52 49 50 2
53 50 51 1
54 51 52 1
55 47 52 1
56 52 53 1 #Down
BRACKET 1 22.4700 -11.9700 22.4700 -10.5700
1 25.7600 -16.3100 25.7600 -17.7800
1 n
ORIGINAL 1 1 2 3 4 5 6 7 8 9 10 11 13 14
REPEAT 1
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