Showing NP-Card for Ossamycin (NP0023094)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 08:13:04 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:40:49 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0023094 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Ossamycin | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Ossamycin is found in Streptomyces. Ossamycin was first documented in 1996 (PMID: 8621357). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0023094 (Ossamycin)
Mrv1652307042108143D
149153 0 0 0 0 999 V2000
10.1151 -2.1151 2.7313 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1030 -3.1905 1.6926 C 0 0 1 0 0 0 0 0 0 0 0 0
9.1968 -2.8509 0.5227 C 0 0 1 0 0 0 0 0 0 0 0 0
9.2364 -3.8912 -0.3981 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8192 -2.4877 0.9684 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8920 -2.1393 -0.1712 C 0 0 1 0 0 0 0 0 0 0 0 0
6.7850 -3.3355 -1.0692 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4419 -3.3297 -1.7767 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0013 -1.8991 -1.8686 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7257 -1.3118 -0.4810 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4207 -1.8204 0.0740 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2131 -1.2320 -0.5580 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8400 -2.0120 -1.6684 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5409 -3.3534 -1.6324 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8086 -3.9761 -2.7270 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9837 -4.1139 -0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0483 -3.6154 0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2304 -3.0500 -0.5027 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0749 -1.9346 -1.4726 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9257 -4.0614 -1.2438 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2054 -2.6373 0.5826 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1202 -3.4854 1.6861 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1688 -1.1942 0.9467 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9954 -0.7307 1.7284 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4554 -0.9111 1.7376 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.2013 -0.2155 2.9113 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4351 -0.0750 0.9357 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.0376 -0.8818 -0.0507 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4095 -0.9992 0.1676 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.1327 -0.4894 -1.0344 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.6110 -0.8158 -1.0116 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.7352 -2.2789 -0.6556 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.0688 -2.7611 -0.7321 N 0 0 1 0 0 0 0 0 0 0 0 0
-11.0107 -2.1723 0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5449 -3.0108 -2.0524 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0228 -2.5818 0.6367 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.4709 -1.7645 1.7926 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6516 -2.3634 0.3767 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7958 1.1273 0.2968 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.7315 1.0338 -1.0910 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4905 2.4183 0.6694 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.0510 2.7780 2.0705 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8572 2.3435 0.6498 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0672 3.5037 -0.3245 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7515 4.1234 0.0806 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.0515 4.6120 -1.1712 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.8917 3.6762 -1.4414 C 0 0 2 0 0 0 0 0 0 0 0 0
0.3028 3.9727 -0.5602 C 0 0 1 0 0 0 0 0 0 0 0 0
1.2074 4.8535 -1.3176 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5174 4.8327 -1.1555 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1548 4.1035 -0.0531 C 0 0 2 0 0 0 0 0 0 0 0 0
3.9258 5.0834 0.8462 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1250 4.2534 1.2324 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4230 4.8138 0.7449 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1591 4.1885 2.7459 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9610 2.9892 0.6714 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3317 3.2455 -0.5242 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0923 4.0904 -1.3510 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9241 2.0611 -1.3149 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7134 0.7953 -0.4891 C 0 0 2 0 0 0 0 0 0 0 0 0
4.8231 0.0400 -0.6046 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4310 0.1758 -0.9679 C 0 0 1 0 0 0 0 0 0 0 0 0
2.2277 0.3953 -2.4641 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6984 -1.7441 0.4064 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1531 -1.0968 2.3438 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0213 -2.2678 3.3783 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2487 -2.2720 3.4365 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1450 -3.3300 1.3418 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7128 -4.1329 2.1431 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6543 -1.9716 0.0216 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0288 -4.4636 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8388 -1.6791 1.7246 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4159 -3.3878 1.5201 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3896 -1.2694 -0.6985 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9613 -4.2797 -0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5693 -3.2434 -1.8593 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6955 -3.9638 -1.2934 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5749 -3.7017 -2.8087 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1297 -1.7918 -2.5298 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8158 -1.2833 -2.3033 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4615 -1.6554 1.1784 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4214 -2.9276 -0.0784 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3689 -1.3516 0.1789 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4082 -5.1051 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0181 -3.6590 1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1452 -1.6265 -1.7235 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6244 -1.0156 -1.1108 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7179 -2.2637 -2.4941 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8962 -4.8507 -0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2331 -2.8068 0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0429 -3.0194 2.5334 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2699 -0.6049 0.0165 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3719 -0.0121 1.1231 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3107 -0.1081 2.6185 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3227 -1.4852 2.1227 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9724 -1.8470 2.0245 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7268 -0.5470 3.6807 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1930 0.2880 1.6611 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6467 -0.4103 1.0677 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7307 -0.9727 -1.9632 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0368 0.5921 -1.1095 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0056 -0.6467 -2.0336 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1354 -0.1356 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1514 -2.8239 -1.4586 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1165 -2.6760 1.1293 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8411 -1.0933 0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.0288 -2.2799 -0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0631 -3.9833 -2.1175 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.2297 -2.1673 -2.3358 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6876 -2.9362 -2.7576 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1349 -3.6571 0.8517 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8740 -0.7815 1.5658 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1515 -2.3656 2.4645 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5677 -1.5889 2.4481 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7303 1.2702 0.6471 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4397 0.4810 -1.4736 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2086 3.8443 2.2855 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6834 2.1901 2.7895 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0065 2.4493 2.2647 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2532 3.2338 0.5617 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8178 4.3247 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0393 3.0956 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1669 3.3313 0.5897 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8884 4.9558 0.7763 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7560 5.6586 -1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7276 4.5226 -2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5678 3.6911 -2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2510 2.6594 -1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0117 4.4798 0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7558 3.0105 -0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7900 5.5436 -2.0326 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1284 5.3638 -1.8492 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4917 3.5561 0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2842 5.9413 0.2199 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3103 5.4018 1.6915 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2946 5.6537 0.0404 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0499 5.2174 1.5935 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0652 4.0135 0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1429 4.0575 3.1704 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5066 5.2008 3.0886 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8813 3.4265 3.0781 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6754 4.0534 -2.2486 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7230 1.8759 -2.0928 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0188 2.3211 -1.9139 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5900 1.1387 0.5709 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6082 0.7842 -0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 0.5820 -2.9692 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5133 1.1904 -2.6931 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8222 -0.5392 -2.9038 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
18 20 1 6 0 0 0
18 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
36 37 1 0 0 0 0
36 38 1 0 0 0 0
27 39 1 0 0 0 0
39 40 1 0 0 0 0
39 41 1 0 0 0 0
41 42 1 0 0 0 0
41 43 1 1 0 0 0
41 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 6 0 0 0
53 55 1 0 0 0 0
53 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 6 0 0 0
57 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
60 62 1 0 0 0 0
62 63 1 0 0 0 0
10 64 1 1 0 0 0
64 6 1 0 0 0 0
61 10 1 0 0 0 0
62 12 1 0 0 0 0
38 29 1 0 0 0 0
57 51 1 0 0 0 0
1 65 1 0 0 0 0
1 66 1 0 0 0 0
1 67 1 0 0 0 0
2 68 1 0 0 0 0
2 69 1 0 0 0 0
3 70 1 6 0 0 0
4 71 1 0 0 0 0
5 72 1 0 0 0 0
5 73 1 0 0 0 0
6 74 1 6 0 0 0
7 75 1 0 0 0 0
7 76 1 0 0 0 0
8 77 1 0 0 0 0
8 78 1 0 0 0 0
9 79 1 0 0 0 0
9 80 1 0 0 0 0
11 81 1 0 0 0 0
11 82 1 0 0 0 0
12 83 1 1 0 0 0
16 84 1 0 0 0 0
17 85 1 0 0 0 0
19 86 1 0 0 0 0
19 87 1 0 0 0 0
19 88 1 0 0 0 0
20 89 1 0 0 0 0
21 90 1 6 0 0 0
22 91 1 0 0 0 0
23 92 1 6 0 0 0
24 93 1 0 0 0 0
24 94 1 0 0 0 0
24 95 1 0 0 0 0
25 96 1 1 0 0 0
26 97 1 0 0 0 0
27 98 1 1 0 0 0
29 99 1 1 0 0 0
30100 1 0 0 0 0
30101 1 0 0 0 0
31102 1 0 0 0 0
31103 1 0 0 0 0
32104 1 6 0 0 0
34105 1 0 0 0 0
34106 1 0 0 0 0
34107 1 0 0 0 0
35108 1 0 0 0 0
35109 1 0 0 0 0
35110 1 0 0 0 0
36111 1 1 0 0 0
37112 1 0 0 0 0
37113 1 0 0 0 0
37114 1 0 0 0 0
39115 1 1 0 0 0
40116 1 0 0 0 0
42117 1 0 0 0 0
42118 1 0 0 0 0
42119 1 0 0 0 0
43120 1 0 0 0 0
44121 1 0 0 0 0
44122 1 0 0 0 0
45123 1 0 0 0 0
45124 1 0 0 0 0
46125 1 0 0 0 0
46126 1 0 0 0 0
47127 1 0 0 0 0
47128 1 0 0 0 0
48129 1 0 0 0 0
48130 1 0 0 0 0
49131 1 0 0 0 0
50132 1 0 0 0 0
51133 1 1 0 0 0
52134 1 0 0 0 0
52135 1 0 0 0 0
54136 1 0 0 0 0
54137 1 0 0 0 0
54138 1 0 0 0 0
55139 1 0 0 0 0
55140 1 0 0 0 0
55141 1 0 0 0 0
58142 1 0 0 0 0
59143 1 0 0 0 0
59144 1 0 0 0 0
60145 1 1 0 0 0
62146 1 1 0 0 0
63147 1 0 0 0 0
63148 1 0 0 0 0
63149 1 0 0 0 0
M END
3D MOL for NP0023094 (Ossamycin)
RDKit 3D
149153 0 0 0 0 0 0 0 0999 V2000
10.1151 -2.1151 2.7313 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1030 -3.1905 1.6926 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1968 -2.8509 0.5227 C 0 0 1 0 0 0 0 0 0 0 0 0
9.2364 -3.8912 -0.3981 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8192 -2.4877 0.9684 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8920 -2.1393 -0.1712 C 0 0 1 0 0 0 0 0 0 0 0 0
6.7850 -3.3355 -1.0692 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4419 -3.3297 -1.7767 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 -1.8991 -1.8686 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7257 -1.3118 -0.4810 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4207 -1.8204 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2131 -1.2320 -0.5580 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8400 -2.0120 -1.6684 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5409 -3.3534 -1.6324 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8086 -3.9761 -2.7270 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9837 -4.1139 -0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0483 -3.6154 0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2304 -3.0500 -0.5027 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0749 -1.9346 -1.4726 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9257 -4.0614 -1.2438 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2054 -2.6373 0.5826 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1202 -3.4854 1.6861 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1688 -1.1942 0.9467 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9954 -0.7307 1.7284 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4554 -0.9111 1.7376 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.2013 -0.2155 2.9113 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4351 -0.0750 0.9357 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.0376 -0.8818 -0.0507 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4095 -0.9992 0.1676 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.1327 -0.4894 -1.0344 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6110 -0.8158 -1.0116 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7352 -2.2789 -0.6556 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.0688 -2.7611 -0.7321 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.0107 -2.1723 0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5449 -3.0108 -2.0524 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0228 -2.5818 0.6367 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.4709 -1.7645 1.7926 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6516 -2.3634 0.3767 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7958 1.1273 0.2968 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.7315 1.0338 -1.0910 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4905 2.4183 0.6694 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.0510 2.7780 2.0705 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8572 2.3435 0.6498 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0672 3.5037 -0.3245 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7515 4.1234 0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0515 4.6120 -1.1712 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8917 3.6762 -1.4414 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3028 3.9727 -0.5602 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2074 4.8535 -1.3176 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5174 4.8327 -1.1555 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1548 4.1035 -0.0531 C 0 0 2 0 0 0 0 0 0 0 0 0
3.9258 5.0834 0.8462 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1250 4.2534 1.2324 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4230 4.8138 0.7449 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1591 4.1885 2.7459 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9610 2.9892 0.6714 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3317 3.2455 -0.5242 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0923 4.0904 -1.3510 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9241 2.0611 -1.3149 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7134 0.7953 -0.4891 C 0 0 2 0 0 0 0 0 0 0 0 0
4.8231 0.0400 -0.6046 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4310 0.1758 -0.9679 C 0 0 1 0 0 0 0 0 0 0 0 0
2.2277 0.3953 -2.4641 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6984 -1.7441 0.4064 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1531 -1.0968 2.3438 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0213 -2.2678 3.3783 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2487 -2.2720 3.4365 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1450 -3.3300 1.3418 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7128 -4.1329 2.1431 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6543 -1.9716 0.0216 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0288 -4.4636 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8388 -1.6791 1.7246 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4159 -3.3878 1.5201 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3896 -1.2694 -0.6985 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9613 -4.2797 -0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5693 -3.2434 -1.8593 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6955 -3.9638 -1.2934 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5749 -3.7017 -2.8087 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1297 -1.7918 -2.5298 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8158 -1.2833 -2.3033 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4615 -1.6554 1.1784 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4214 -2.9276 -0.0784 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3689 -1.3516 0.1789 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4082 -5.1051 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0181 -3.6590 1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1452 -1.6265 -1.7235 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6244 -1.0156 -1.1108 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7179 -2.2637 -2.4941 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8962 -4.8507 -0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2331 -2.8068 0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0429 -3.0194 2.5334 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2699 -0.6049 0.0165 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3719 -0.0121 1.1231 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3107 -0.1081 2.6185 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3227 -1.4852 2.1227 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9724 -1.8470 2.0245 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7268 -0.5470 3.6807 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1930 0.2880 1.6611 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6467 -0.4103 1.0677 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7307 -0.9727 -1.9632 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0368 0.5921 -1.1095 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0056 -0.6467 -2.0336 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1354 -0.1356 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1514 -2.8239 -1.4586 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1165 -2.6760 1.1293 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8411 -1.0933 0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.0288 -2.2799 -0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0631 -3.9833 -2.1175 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.2297 -2.1673 -2.3358 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6876 -2.9362 -2.7576 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1349 -3.6571 0.8517 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8740 -0.7815 1.5658 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1515 -2.3656 2.4645 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5677 -1.5889 2.4481 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7303 1.2702 0.6471 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4397 0.4810 -1.4736 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2086 3.8443 2.2855 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6834 2.1901 2.7895 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0065 2.4493 2.2647 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2532 3.2338 0.5617 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8178 4.3247 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0393 3.0956 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1669 3.3313 0.5897 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8884 4.9558 0.7763 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7560 5.6586 -1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7276 4.5226 -2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5678 3.6911 -2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2510 2.6594 -1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0117 4.4798 0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7558 3.0105 -0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7900 5.5436 -2.0326 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1284 5.3638 -1.8492 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4917 3.5561 0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2842 5.9413 0.2199 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3103 5.4018 1.6915 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2946 5.6537 0.0404 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0499 5.2174 1.5935 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0652 4.0135 0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1429 4.0575 3.1704 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5066 5.2008 3.0886 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8813 3.4265 3.0781 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6754 4.0534 -2.2486 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7230 1.8759 -2.0928 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0188 2.3211 -1.9139 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5900 1.1387 0.5709 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6082 0.7842 -0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 0.5820 -2.9692 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5133 1.1904 -2.6931 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8222 -0.5392 -2.9038 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 2 0
14 16 1 0
16 17 2 0
17 18 1 0
18 19 1 0
18 20 1 6
18 21 1 0
21 22 1 0
21 23 1 0
23 24 1 0
23 25 1 0
25 26 1 0
25 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
30 31 1 0
31 32 1 0
32 33 1 0
33 34 1 0
33 35 1 0
32 36 1 0
36 37 1 0
36 38 1 0
27 39 1 0
39 40 1 0
39 41 1 0
41 42 1 0
41 43 1 1
41 44 1 0
44 45 1 0
45 46 1 0
46 47 1 0
47 48 1 0
48 49 1 0
49 50 2 0
50 51 1 0
51 52 1 0
52 53 1 0
53 54 1 6
53 55 1 0
53 56 1 0
56 57 1 0
57 58 1 6
57 59 1 0
59 60 1 0
60 61 1 0
60 62 1 0
62 63 1 0
10 64 1 1
64 6 1 0
61 10 1 0
62 12 1 0
38 29 1 0
57 51 1 0
1 65 1 0
1 66 1 0
1 67 1 0
2 68 1 0
2 69 1 0
3 70 1 6
4 71 1 0
5 72 1 0
5 73 1 0
6 74 1 6
7 75 1 0
7 76 1 0
8 77 1 0
8 78 1 0
9 79 1 0
9 80 1 0
11 81 1 0
11 82 1 0
12 83 1 1
16 84 1 0
17 85 1 0
19 86 1 0
19 87 1 0
19 88 1 0
20 89 1 0
21 90 1 6
22 91 1 0
23 92 1 6
24 93 1 0
24 94 1 0
24 95 1 0
25 96 1 1
26 97 1 0
27 98 1 1
29 99 1 1
30100 1 0
30101 1 0
31102 1 0
31103 1 0
32104 1 6
34105 1 0
34106 1 0
34107 1 0
35108 1 0
35109 1 0
35110 1 0
36111 1 1
37112 1 0
37113 1 0
37114 1 0
39115 1 1
40116 1 0
42117 1 0
42118 1 0
42119 1 0
43120 1 0
44121 1 0
44122 1 0
45123 1 0
45124 1 0
46125 1 0
46126 1 0
47127 1 0
47128 1 0
48129 1 0
48130 1 0
49131 1 0
50132 1 0
51133 1 1
52134 1 0
52135 1 0
54136 1 0
54137 1 0
54138 1 0
55139 1 0
55140 1 0
55141 1 0
58142 1 0
59143 1 0
59144 1 0
60145 1 1
62146 1 1
63147 1 0
63148 1 0
63149 1 0
M END
3D SDF for NP0023094 (Ossamycin)
Mrv1652307042108143D
149153 0 0 0 0 999 V2000
10.1151 -2.1151 2.7313 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1030 -3.1905 1.6926 C 0 0 1 0 0 0 0 0 0 0 0 0
9.1968 -2.8509 0.5227 C 0 0 1 0 0 0 0 0 0 0 0 0
9.2364 -3.8912 -0.3981 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8192 -2.4877 0.9684 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8920 -2.1393 -0.1712 C 0 0 1 0 0 0 0 0 0 0 0 0
6.7850 -3.3355 -1.0692 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4419 -3.3297 -1.7767 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0013 -1.8991 -1.8686 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7257 -1.3118 -0.4810 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4207 -1.8204 0.0740 C 0 0 2 0 0 0 0 0 0 0 0 0
2.2131 -1.2320 -0.5580 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8400 -2.0120 -1.6684 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5409 -3.3534 -1.6324 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8086 -3.9761 -2.7270 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9837 -4.1139 -0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0483 -3.6154 0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2304 -3.0500 -0.5027 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0749 -1.9346 -1.4726 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9257 -4.0614 -1.2438 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2054 -2.6373 0.5826 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1202 -3.4854 1.6861 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1688 -1.1942 0.9467 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9954 -0.7307 1.7284 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4554 -0.9111 1.7376 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.2013 -0.2155 2.9113 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4351 -0.0750 0.9357 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.0376 -0.8818 -0.0507 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4095 -0.9992 0.1676 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.1327 -0.4894 -1.0344 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.6110 -0.8158 -1.0116 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.7352 -2.2789 -0.6556 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.0688 -2.7611 -0.7321 N 0 0 1 0 0 0 0 0 0 0 0 0
-11.0107 -2.1723 0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5449 -3.0108 -2.0524 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0228 -2.5818 0.6367 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.4709 -1.7645 1.7926 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6516 -2.3634 0.3767 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7958 1.1273 0.2968 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.7315 1.0338 -1.0910 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4905 2.4183 0.6694 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.0510 2.7780 2.0705 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8572 2.3435 0.6498 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0672 3.5037 -0.3245 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7515 4.1234 0.0806 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.0515 4.6120 -1.1712 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.8917 3.6762 -1.4414 C 0 0 2 0 0 0 0 0 0 0 0 0
0.3028 3.9727 -0.5602 C 0 0 1 0 0 0 0 0 0 0 0 0
1.2074 4.8535 -1.3176 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5174 4.8327 -1.1555 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1548 4.1035 -0.0531 C 0 0 2 0 0 0 0 0 0 0 0 0
3.9258 5.0834 0.8462 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1250 4.2534 1.2324 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4230 4.8138 0.7449 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1591 4.1885 2.7459 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9610 2.9892 0.6714 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3317 3.2455 -0.5242 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0923 4.0904 -1.3510 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9241 2.0611 -1.3149 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7134 0.7953 -0.4891 C 0 0 2 0 0 0 0 0 0 0 0 0
4.8231 0.0400 -0.6046 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4310 0.1758 -0.9679 C 0 0 1 0 0 0 0 0 0 0 0 0
2.2277 0.3953 -2.4641 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6984 -1.7441 0.4064 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1531 -1.0968 2.3438 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0213 -2.2678 3.3783 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2487 -2.2720 3.4365 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1450 -3.3300 1.3418 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7128 -4.1329 2.1431 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6543 -1.9716 0.0216 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0288 -4.4636 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8388 -1.6791 1.7246 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4159 -3.3878 1.5201 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3896 -1.2694 -0.6985 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9613 -4.2797 -0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5693 -3.2434 -1.8593 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6955 -3.9638 -1.2934 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5749 -3.7017 -2.8087 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1297 -1.7918 -2.5298 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8158 -1.2833 -2.3033 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4615 -1.6554 1.1784 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4214 -2.9276 -0.0784 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3689 -1.3516 0.1789 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4082 -5.1051 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0181 -3.6590 1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1452 -1.6265 -1.7235 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6244 -1.0156 -1.1108 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7179 -2.2637 -2.4941 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8962 -4.8507 -0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2331 -2.8068 0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0429 -3.0194 2.5334 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2699 -0.6049 0.0165 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3719 -0.0121 1.1231 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3107 -0.1081 2.6185 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3227 -1.4852 2.1227 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9724 -1.8470 2.0245 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7268 -0.5470 3.6807 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1930 0.2880 1.6611 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6467 -0.4103 1.0677 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7307 -0.9727 -1.9632 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0368 0.5921 -1.1095 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0056 -0.6467 -2.0336 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1354 -0.1356 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1514 -2.8239 -1.4586 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1165 -2.6760 1.1293 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8411 -1.0933 0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.0288 -2.2799 -0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0631 -3.9833 -2.1175 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.2297 -2.1673 -2.3358 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6876 -2.9362 -2.7576 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1349 -3.6571 0.8517 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8740 -0.7815 1.5658 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1515 -2.3656 2.4645 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5677 -1.5889 2.4481 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7303 1.2702 0.6471 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4397 0.4810 -1.4736 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2086 3.8443 2.2855 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6834 2.1901 2.7895 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0065 2.4493 2.2647 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2532 3.2338 0.5617 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8178 4.3247 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0393 3.0956 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1669 3.3313 0.5897 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8884 4.9558 0.7763 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7560 5.6586 -1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7276 4.5226 -2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5678 3.6911 -2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2510 2.6594 -1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0117 4.4798 0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7558 3.0105 -0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7900 5.5436 -2.0326 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1284 5.3638 -1.8492 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4917 3.5561 0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2842 5.9413 0.2199 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3103 5.4018 1.6915 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2946 5.6537 0.0404 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0499 5.2174 1.5935 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0652 4.0135 0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1429 4.0575 3.1704 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5066 5.2008 3.0886 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8813 3.4265 3.0781 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6754 4.0534 -2.2486 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7230 1.8759 -2.0928 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0188 2.3211 -1.9139 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5900 1.1387 0.5709 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6082 0.7842 -0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 0.5820 -2.9692 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5133 1.1904 -2.6931 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8222 -0.5392 -2.9038 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
14 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
18 20 1 6 0 0 0
18 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
36 37 1 0 0 0 0
36 38 1 0 0 0 0
27 39 1 0 0 0 0
39 40 1 0 0 0 0
39 41 1 0 0 0 0
41 42 1 0 0 0 0
41 43 1 1 0 0 0
41 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 6 0 0 0
53 55 1 0 0 0 0
53 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 6 0 0 0
57 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
60 62 1 0 0 0 0
62 63 1 0 0 0 0
10 64 1 1 0 0 0
64 6 1 0 0 0 0
61 10 1 0 0 0 0
62 12 1 0 0 0 0
38 29 1 0 0 0 0
57 51 1 0 0 0 0
1 65 1 0 0 0 0
1 66 1 0 0 0 0
1 67 1 0 0 0 0
2 68 1 0 0 0 0
2 69 1 0 0 0 0
3 70 1 6 0 0 0
4 71 1 0 0 0 0
5 72 1 0 0 0 0
5 73 1 0 0 0 0
6 74 1 6 0 0 0
7 75 1 0 0 0 0
7 76 1 0 0 0 0
8 77 1 0 0 0 0
8 78 1 0 0 0 0
9 79 1 0 0 0 0
9 80 1 0 0 0 0
11 81 1 0 0 0 0
11 82 1 0 0 0 0
12 83 1 1 0 0 0
16 84 1 0 0 0 0
17 85 1 0 0 0 0
19 86 1 0 0 0 0
19 87 1 0 0 0 0
19 88 1 0 0 0 0
20 89 1 0 0 0 0
21 90 1 6 0 0 0
22 91 1 0 0 0 0
23 92 1 6 0 0 0
24 93 1 0 0 0 0
24 94 1 0 0 0 0
24 95 1 0 0 0 0
25 96 1 1 0 0 0
26 97 1 0 0 0 0
27 98 1 1 0 0 0
29 99 1 1 0 0 0
30100 1 0 0 0 0
30101 1 0 0 0 0
31102 1 0 0 0 0
31103 1 0 0 0 0
32104 1 6 0 0 0
34105 1 0 0 0 0
34106 1 0 0 0 0
34107 1 0 0 0 0
35108 1 0 0 0 0
35109 1 0 0 0 0
35110 1 0 0 0 0
36111 1 1 0 0 0
37112 1 0 0 0 0
37113 1 0 0 0 0
37114 1 0 0 0 0
39115 1 1 0 0 0
40116 1 0 0 0 0
42117 1 0 0 0 0
42118 1 0 0 0 0
42119 1 0 0 0 0
43120 1 0 0 0 0
44121 1 0 0 0 0
44122 1 0 0 0 0
45123 1 0 0 0 0
45124 1 0 0 0 0
46125 1 0 0 0 0
46126 1 0 0 0 0
47127 1 0 0 0 0
47128 1 0 0 0 0
48129 1 0 0 0 0
48130 1 0 0 0 0
49131 1 0 0 0 0
50132 1 0 0 0 0
51133 1 1 0 0 0
52134 1 0 0 0 0
52135 1 0 0 0 0
54136 1 0 0 0 0
54137 1 0 0 0 0
54138 1 0 0 0 0
55139 1 0 0 0 0
55140 1 0 0 0 0
55141 1 0 0 0 0
58142 1 0 0 0 0
59143 1 0 0 0 0
59144 1 0 0 0 0
60145 1 1 0 0 0
62146 1 1 0 0 0
63147 1 0 0 0 0
63148 1 0 0 0 0
63149 1 0 0 0 0
M END
> <DATABASE_ID>
NP0023094
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]O[C@]([H])(C([H])([H])C([H])([H])[H])C([H])([H])[C@]1([H])O[C@@]2(O[C@@]3([H])C([H])([H])[C@]4(O[H])OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@@]4([H])\C([H])=C([H])/C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@](O[H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[C@]4([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(N(C([H])([H])[H])C([H])([H])[H])C([H])([H])C4([H])[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@](O[H])(\C([H])=C([H])/C(=O)O[C@@]([H])(C2([H])[H])[C@]3([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C49H85NO14/c1-11-34(51)26-35-19-17-24-48(62-35)28-37-30(2)38(63-48)29-49(58)33(27-45(5,6)64-49)18-15-13-12-14-16-23-46(7,56)44(55)42(61-40-21-20-36(50(9)10)32(4)59-40)41(53)31(3)43(54)47(8,57)25-22-39(52)60-37/h15,18,22,25,30-38,40-44,51,53-58H,11-14,16-17,19-21,23-24,26-29H2,1-10H3/b18-15-,25-22-/t30-,31+,32-,33+,34+,35+,36-,37-,38-,40-,41+,42-,43-,44+,46+,47+,48+,49-/m0/s1
> <INCHI_KEY>
XGECDDPXIKFBTE-SZBRWVRFSA-N
> <FORMULA>
C49H85NO14
> <MOLECULAR_WEIGHT>
912.212
> <EXACT_MASS>
911.597006421
> <JCHEM_ACCEPTOR_COUNT>
14
> <JCHEM_ATOM_COUNT>
149
> <JCHEM_AVERAGE_POLARIZABILITY>
102.91515830240378
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
7
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(1'S,2R,3'S,6R,7'S,8'Z,15'R,16'R,17'S,18'R,19'R,20'S,21'R,22'Z,26'S,30'R)-17'-{[(2S,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-3',15',16',18',20',21'-hexahydroxy-6-[(2R)-2-hydroxybutyl]-5',5',15',19',21',30'-hexamethyl-4',25',29'-trioxaspiro[oxane-2,28'-tricyclo[24.3.1.0^{3,7}]triacontane]-8',22'-dien-24'-one
> <ALOGPS_LOGP>
3.40
> <JCHEM_LOGP>
5.113835064666667
> <ALOGPS_LOGS>
-4.94
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
5
> <JCHEM_PHYSIOLOGICAL_CHARGE>
1
> <JCHEM_PKA>
12.780085689638952
> <JCHEM_PKA_STRONGEST_ACIDIC>
11.655029100019144
> <JCHEM_PKA_STRONGEST_BASIC>
9.259725572915393
> <JCHEM_POLAR_SURFACE_AREA>
217.29999999999995
> <JCHEM_REFRACTIVITY>
242.65030000000004
> <JCHEM_ROTATABLE_BOND_COUNT>
6
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.04e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(1'S,2R,3'S,6R,7'S,8'Z,15'R,16'R,17'S,18'R,19'R,20'S,21'R,22'Z,26'S,30'R)-17'-{[(2S,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-3',15',16',18',20',21'-hexahydroxy-6-[(2R)-2-hydroxybutyl]-5',5',15',19',21',30'-hexamethyl-4',25',29'-trioxaspiro[oxane-2,28'-tricyclo[24.3.1.0^{3,7}]triacontane]-8',22'-dien-24'-one
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0023094 (Ossamycin)
RDKit 3D
149153 0 0 0 0 0 0 0 0999 V2000
10.1151 -2.1151 2.7313 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1030 -3.1905 1.6926 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1968 -2.8509 0.5227 C 0 0 1 0 0 0 0 0 0 0 0 0
9.2364 -3.8912 -0.3981 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8192 -2.4877 0.9684 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8920 -2.1393 -0.1712 C 0 0 1 0 0 0 0 0 0 0 0 0
6.7850 -3.3355 -1.0692 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4419 -3.3297 -1.7767 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0013 -1.8991 -1.8686 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7257 -1.3118 -0.4810 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4207 -1.8204 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2131 -1.2320 -0.5580 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8400 -2.0120 -1.6684 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5409 -3.3534 -1.6324 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8086 -3.9761 -2.7270 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9837 -4.1139 -0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0483 -3.6154 0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2304 -3.0500 -0.5027 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0749 -1.9346 -1.4726 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9257 -4.0614 -1.2438 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2054 -2.6373 0.5826 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1202 -3.4854 1.6861 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1688 -1.1942 0.9467 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9954 -0.7307 1.7284 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4554 -0.9111 1.7376 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.2013 -0.2155 2.9113 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4351 -0.0750 0.9357 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.0376 -0.8818 -0.0507 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4095 -0.9992 0.1676 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.1327 -0.4894 -1.0344 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6110 -0.8158 -1.0116 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7352 -2.2789 -0.6556 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.0688 -2.7611 -0.7321 N 0 0 0 0 0 0 0 0 0 0 0 0
-11.0107 -2.1723 0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5449 -3.0108 -2.0524 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0228 -2.5818 0.6367 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.4709 -1.7645 1.7926 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6516 -2.3634 0.3767 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7958 1.1273 0.2968 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.7315 1.0338 -1.0910 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4905 2.4183 0.6694 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.0510 2.7780 2.0705 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8572 2.3435 0.6498 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0672 3.5037 -0.3245 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7515 4.1234 0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0515 4.6120 -1.1712 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8917 3.6762 -1.4414 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3028 3.9727 -0.5602 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2074 4.8535 -1.3176 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5174 4.8327 -1.1555 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1548 4.1035 -0.0531 C 0 0 2 0 0 0 0 0 0 0 0 0
3.9258 5.0834 0.8462 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1250 4.2534 1.2324 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4230 4.8138 0.7449 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1591 4.1885 2.7459 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9610 2.9892 0.6714 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3317 3.2455 -0.5242 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0923 4.0904 -1.3510 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9241 2.0611 -1.3149 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7134 0.7953 -0.4891 C 0 0 2 0 0 0 0 0 0 0 0 0
4.8231 0.0400 -0.6046 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4310 0.1758 -0.9679 C 0 0 1 0 0 0 0 0 0 0 0 0
2.2277 0.3953 -2.4641 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6984 -1.7441 0.4064 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1531 -1.0968 2.3438 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0213 -2.2678 3.3783 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2487 -2.2720 3.4365 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1450 -3.3300 1.3418 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7128 -4.1329 2.1431 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6543 -1.9716 0.0216 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0288 -4.4636 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8388 -1.6791 1.7246 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4159 -3.3878 1.5201 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3896 -1.2694 -0.6985 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9613 -4.2797 -0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5693 -3.2434 -1.8593 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6955 -3.9638 -1.2934 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5749 -3.7017 -2.8087 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1297 -1.7918 -2.5298 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8158 -1.2833 -2.3033 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4615 -1.6554 1.1784 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4214 -2.9276 -0.0784 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3689 -1.3516 0.1789 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4082 -5.1051 -0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0181 -3.6590 1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1452 -1.6265 -1.7235 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6244 -1.0156 -1.1108 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7179 -2.2637 -2.4941 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8962 -4.8507 -0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2331 -2.8068 0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0429 -3.0194 2.5334 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2699 -0.6049 0.0165 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3719 -0.0121 1.1231 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3107 -0.1081 2.6185 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3227 -1.4852 2.1227 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9724 -1.8470 2.0245 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7268 -0.5470 3.6807 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1930 0.2880 1.6611 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6467 -0.4103 1.0677 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7307 -0.9727 -1.9632 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0368 0.5921 -1.1095 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0056 -0.6467 -2.0336 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1354 -0.1356 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1514 -2.8239 -1.4586 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1165 -2.6760 1.1293 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8411 -1.0933 0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.0288 -2.2799 -0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0631 -3.9833 -2.1175 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.2297 -2.1673 -2.3358 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6876 -2.9362 -2.7576 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1349 -3.6571 0.8517 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8740 -0.7815 1.5658 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1515 -2.3656 2.4645 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5677 -1.5889 2.4481 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7303 1.2702 0.6471 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4397 0.4810 -1.4736 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2086 3.8443 2.2855 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6834 2.1901 2.7895 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0065 2.4493 2.2647 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2532 3.2338 0.5617 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8178 4.3247 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0393 3.0956 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1669 3.3313 0.5897 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8884 4.9558 0.7763 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7560 5.6586 -1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7276 4.5226 -2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5678 3.6911 -2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2510 2.6594 -1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0117 4.4798 0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7558 3.0105 -0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7900 5.5436 -2.0326 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1284 5.3638 -1.8492 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4917 3.5561 0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2842 5.9413 0.2199 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3103 5.4018 1.6915 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2946 5.6537 0.0404 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0499 5.2174 1.5935 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0652 4.0135 0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1429 4.0575 3.1704 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5066 5.2008 3.0886 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8813 3.4265 3.0781 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6754 4.0534 -2.2486 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7230 1.8759 -2.0928 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0188 2.3211 -1.9139 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5900 1.1387 0.5709 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6082 0.7842 -0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 0.5820 -2.9692 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5133 1.1904 -2.6931 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8222 -0.5392 -2.9038 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 2 0
14 16 1 0
16 17 2 0
17 18 1 0
18 19 1 0
18 20 1 6
18 21 1 0
21 22 1 0
21 23 1 0
23 24 1 0
23 25 1 0
25 26 1 0
25 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
30 31 1 0
31 32 1 0
32 33 1 0
33 34 1 0
33 35 1 0
32 36 1 0
36 37 1 0
36 38 1 0
27 39 1 0
39 40 1 0
39 41 1 0
41 42 1 0
41 43 1 1
41 44 1 0
44 45 1 0
45 46 1 0
46 47 1 0
47 48 1 0
48 49 1 0
49 50 2 0
50 51 1 0
51 52 1 0
52 53 1 0
53 54 1 6
53 55 1 0
53 56 1 0
56 57 1 0
57 58 1 6
57 59 1 0
59 60 1 0
60 61 1 0
60 62 1 0
62 63 1 0
10 64 1 1
64 6 1 0
61 10 1 0
62 12 1 0
38 29 1 0
57 51 1 0
1 65 1 0
1 66 1 0
1 67 1 0
2 68 1 0
2 69 1 0
3 70 1 6
4 71 1 0
5 72 1 0
5 73 1 0
6 74 1 6
7 75 1 0
7 76 1 0
8 77 1 0
8 78 1 0
9 79 1 0
9 80 1 0
11 81 1 0
11 82 1 0
12 83 1 1
16 84 1 0
17 85 1 0
19 86 1 0
19 87 1 0
19 88 1 0
20 89 1 0
21 90 1 6
22 91 1 0
23 92 1 6
24 93 1 0
24 94 1 0
24 95 1 0
25 96 1 1
26 97 1 0
27 98 1 1
29 99 1 1
30100 1 0
30101 1 0
31102 1 0
31103 1 0
32104 1 6
34105 1 0
34106 1 0
34107 1 0
35108 1 0
35109 1 0
35110 1 0
36111 1 1
37112 1 0
37113 1 0
37114 1 0
39115 1 1
40116 1 0
42117 1 0
42118 1 0
42119 1 0
43120 1 0
44121 1 0
44122 1 0
45123 1 0
45124 1 0
46125 1 0
46126 1 0
47127 1 0
47128 1 0
48129 1 0
48130 1 0
49131 1 0
50132 1 0
51133 1 1
52134 1 0
52135 1 0
54136 1 0
54137 1 0
54138 1 0
55139 1 0
55140 1 0
55141 1 0
58142 1 0
59143 1 0
59144 1 0
60145 1 1
62146 1 1
63147 1 0
63148 1 0
63149 1 0
M END
PDB for NP0023094 (Ossamycin)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 10.115 -2.115 2.731 0.00 0.00 C+0 HETATM 2 C UNK 0 10.103 -3.191 1.693 0.00 0.00 C+0 HETATM 3 C UNK 0 9.197 -2.851 0.523 0.00 0.00 C+0 HETATM 4 O UNK 0 9.236 -3.891 -0.398 0.00 0.00 O+0 HETATM 5 C UNK 0 7.819 -2.488 0.968 0.00 0.00 C+0 HETATM 6 C UNK 0 6.892 -2.139 -0.171 0.00 0.00 C+0 HETATM 7 C UNK 0 6.785 -3.336 -1.069 0.00 0.00 C+0 HETATM 8 C UNK 0 5.442 -3.330 -1.777 0.00 0.00 C+0 HETATM 9 C UNK 0 5.001 -1.899 -1.869 0.00 0.00 C+0 HETATM 10 C UNK 0 4.726 -1.312 -0.481 0.00 0.00 C+0 HETATM 11 C UNK 0 3.421 -1.820 0.074 0.00 0.00 C+0 HETATM 12 C UNK 0 2.213 -1.232 -0.558 0.00 0.00 C+0 HETATM 13 O UNK 0 1.840 -2.012 -1.668 0.00 0.00 O+0 HETATM 14 C UNK 0 1.541 -3.353 -1.632 0.00 0.00 C+0 HETATM 15 O UNK 0 1.809 -3.976 -2.727 0.00 0.00 O+0 HETATM 16 C UNK 0 0.984 -4.114 -0.543 0.00 0.00 C+0 HETATM 17 C UNK 0 -0.048 -3.615 0.116 0.00 0.00 C+0 HETATM 18 C UNK 0 -1.230 -3.050 -0.503 0.00 0.00 C+0 HETATM 19 C UNK 0 -1.075 -1.935 -1.473 0.00 0.00 C+0 HETATM 20 O UNK 0 -1.926 -4.061 -1.244 0.00 0.00 O+0 HETATM 21 C UNK 0 -2.205 -2.637 0.583 0.00 0.00 C+0 HETATM 22 O UNK 0 -2.120 -3.485 1.686 0.00 0.00 O+0 HETATM 23 C UNK 0 -2.169 -1.194 0.947 0.00 0.00 C+0 HETATM 24 C UNK 0 -0.995 -0.731 1.728 0.00 0.00 C+0 HETATM 25 C UNK 0 -3.455 -0.911 1.738 0.00 0.00 C+0 HETATM 26 O UNK 0 -3.201 -0.216 2.911 0.00 0.00 O+0 HETATM 27 C UNK 0 -4.435 -0.075 0.936 0.00 0.00 C+0 HETATM 28 O UNK 0 -5.038 -0.882 -0.051 0.00 0.00 O+0 HETATM 29 C UNK 0 -6.410 -0.999 0.168 0.00 0.00 C+0 HETATM 30 C UNK 0 -7.133 -0.489 -1.034 0.00 0.00 C+0 HETATM 31 C UNK 0 -8.611 -0.816 -1.012 0.00 0.00 C+0 HETATM 32 C UNK 0 -8.735 -2.279 -0.656 0.00 0.00 C+0 HETATM 33 N UNK 0 -10.069 -2.761 -0.732 0.00 0.00 N+0 HETATM 34 C UNK 0 -11.011 -2.172 0.150 0.00 0.00 C+0 HETATM 35 C UNK 0 -10.545 -3.011 -2.052 0.00 0.00 C+0 HETATM 36 C UNK 0 -8.023 -2.582 0.637 0.00 0.00 C+0 HETATM 37 C UNK 0 -8.471 -1.765 1.793 0.00 0.00 C+0 HETATM 38 O UNK 0 -6.652 -2.363 0.377 0.00 0.00 O+0 HETATM 39 C UNK 0 -3.796 1.127 0.297 0.00 0.00 C+0 HETATM 40 O UNK 0 -3.732 1.034 -1.091 0.00 0.00 O+0 HETATM 41 C UNK 0 -4.490 2.418 0.669 0.00 0.00 C+0 HETATM 42 C UNK 0 -4.051 2.778 2.071 0.00 0.00 C+0 HETATM 43 O UNK 0 -5.857 2.344 0.650 0.00 0.00 O+0 HETATM 44 C UNK 0 -4.067 3.504 -0.325 0.00 0.00 C+0 HETATM 45 C UNK 0 -2.752 4.123 0.081 0.00 0.00 C+0 HETATM 46 C UNK 0 -2.051 4.612 -1.171 0.00 0.00 C+0 HETATM 47 C UNK 0 -0.892 3.676 -1.441 0.00 0.00 C+0 HETATM 48 C UNK 0 0.303 3.973 -0.560 0.00 0.00 C+0 HETATM 49 C UNK 0 1.207 4.854 -1.318 0.00 0.00 C+0 HETATM 50 C UNK 0 2.517 4.833 -1.155 0.00 0.00 C+0 HETATM 51 C UNK 0 3.155 4.104 -0.053 0.00 0.00 C+0 HETATM 52 C UNK 0 3.926 5.083 0.846 0.00 0.00 C+0 HETATM 53 C UNK 0 5.125 4.253 1.232 0.00 0.00 C+0 HETATM 54 C UNK 0 6.423 4.814 0.745 0.00 0.00 C+0 HETATM 55 C UNK 0 5.159 4.189 2.746 0.00 0.00 C+0 HETATM 56 O UNK 0 4.961 2.989 0.671 0.00 0.00 O+0 HETATM 57 C UNK 0 4.332 3.245 -0.524 0.00 0.00 C+0 HETATM 58 O UNK 0 5.092 4.090 -1.351 0.00 0.00 O+0 HETATM 59 C UNK 0 3.924 2.061 -1.315 0.00 0.00 C+0 HETATM 60 C UNK 0 3.713 0.795 -0.489 0.00 0.00 C+0 HETATM 61 O UNK 0 4.823 0.040 -0.605 0.00 0.00 O+0 HETATM 62 C UNK 0 2.431 0.176 -0.968 0.00 0.00 C+0 HETATM 63 C UNK 0 2.228 0.395 -2.464 0.00 0.00 C+0 HETATM 64 O UNK 0 5.698 -1.744 0.406 0.00 0.00 O+0 HETATM 65 H UNK 0 10.153 -1.097 2.344 0.00 0.00 H+0 HETATM 66 H UNK 0 11.021 -2.268 3.378 0.00 0.00 H+0 HETATM 67 H UNK 0 9.249 -2.272 3.437 0.00 0.00 H+0 HETATM 68 H UNK 0 11.145 -3.330 1.342 0.00 0.00 H+0 HETATM 69 H UNK 0 9.713 -4.133 2.143 0.00 0.00 H+0 HETATM 70 H UNK 0 9.654 -1.972 0.022 0.00 0.00 H+0 HETATM 71 H UNK 0 10.029 -4.464 -0.234 0.00 0.00 H+0 HETATM 72 H UNK 0 7.839 -1.679 1.725 0.00 0.00 H+0 HETATM 73 H UNK 0 7.416 -3.388 1.520 0.00 0.00 H+0 HETATM 74 H UNK 0 7.390 -1.269 -0.699 0.00 0.00 H+0 HETATM 75 H UNK 0 6.961 -4.280 -0.538 0.00 0.00 H+0 HETATM 76 H UNK 0 7.569 -3.243 -1.859 0.00 0.00 H+0 HETATM 77 H UNK 0 4.696 -3.964 -1.293 0.00 0.00 H+0 HETATM 78 H UNK 0 5.575 -3.702 -2.809 0.00 0.00 H+0 HETATM 79 H UNK 0 4.130 -1.792 -2.530 0.00 0.00 H+0 HETATM 80 H UNK 0 5.816 -1.283 -2.303 0.00 0.00 H+0 HETATM 81 H UNK 0 3.462 -1.655 1.178 0.00 0.00 H+0 HETATM 82 H UNK 0 3.421 -2.928 -0.078 0.00 0.00 H+0 HETATM 83 H UNK 0 1.369 -1.352 0.179 0.00 0.00 H+0 HETATM 84 H UNK 0 1.408 -5.105 -0.256 0.00 0.00 H+0 HETATM 85 H UNK 0 0.018 -3.659 1.214 0.00 0.00 H+0 HETATM 86 H UNK 0 -2.145 -1.627 -1.724 0.00 0.00 H+0 HETATM 87 H UNK 0 -0.624 -1.016 -1.111 0.00 0.00 H+0 HETATM 88 H UNK 0 -0.718 -2.264 -2.494 0.00 0.00 H+0 HETATM 89 H UNK 0 -1.896 -4.851 -0.637 0.00 0.00 H+0 HETATM 90 H UNK 0 -3.233 -2.807 0.159 0.00 0.00 H+0 HETATM 91 H UNK 0 -2.043 -3.019 2.533 0.00 0.00 H+0 HETATM 92 H UNK 0 -2.270 -0.605 0.017 0.00 0.00 H+0 HETATM 93 H UNK 0 -0.372 -0.012 1.123 0.00 0.00 H+0 HETATM 94 H UNK 0 -1.311 -0.108 2.619 0.00 0.00 H+0 HETATM 95 H UNK 0 -0.323 -1.485 2.123 0.00 0.00 H+0 HETATM 96 H UNK 0 -3.972 -1.847 2.025 0.00 0.00 H+0 HETATM 97 H UNK 0 -3.727 -0.547 3.681 0.00 0.00 H+0 HETATM 98 H UNK 0 -5.193 0.288 1.661 0.00 0.00 H+0 HETATM 99 H UNK 0 -6.647 -0.410 1.068 0.00 0.00 H+0 HETATM 100 H UNK 0 -6.731 -0.973 -1.963 0.00 0.00 H+0 HETATM 101 H UNK 0 -7.037 0.592 -1.109 0.00 0.00 H+0 HETATM 102 H UNK 0 -9.006 -0.647 -2.034 0.00 0.00 H+0 HETATM 103 H UNK 0 -9.135 -0.136 -0.346 0.00 0.00 H+0 HETATM 104 H UNK 0 -8.151 -2.824 -1.459 0.00 0.00 H+0 HETATM 105 H UNK 0 -11.117 -2.676 1.129 0.00 0.00 H+0 HETATM 106 H UNK 0 -10.841 -1.093 0.224 0.00 0.00 H+0 HETATM 107 H UNK 0 -12.029 -2.280 -0.332 0.00 0.00 H+0 HETATM 108 H UNK 0 -11.063 -3.983 -2.118 0.00 0.00 H+0 HETATM 109 H UNK 0 -11.230 -2.167 -2.336 0.00 0.00 H+0 HETATM 110 H UNK 0 -9.688 -2.936 -2.758 0.00 0.00 H+0 HETATM 111 H UNK 0 -8.135 -3.657 0.852 0.00 0.00 H+0 HETATM 112 H UNK 0 -8.874 -0.782 1.566 0.00 0.00 H+0 HETATM 113 H UNK 0 -9.152 -2.366 2.465 0.00 0.00 H+0 HETATM 114 H UNK 0 -7.568 -1.589 2.448 0.00 0.00 H+0 HETATM 115 H UNK 0 -2.730 1.270 0.647 0.00 0.00 H+0 HETATM 116 H UNK 0 -4.440 0.481 -1.474 0.00 0.00 H+0 HETATM 117 H UNK 0 -4.209 3.844 2.285 0.00 0.00 H+0 HETATM 118 H UNK 0 -4.683 2.190 2.789 0.00 0.00 H+0 HETATM 119 H UNK 0 -3.006 2.449 2.265 0.00 0.00 H+0 HETATM 120 H UNK 0 -6.253 3.234 0.562 0.00 0.00 H+0 HETATM 121 H UNK 0 -4.818 4.325 -0.332 0.00 0.00 H+0 HETATM 122 H UNK 0 -4.039 3.096 -1.357 0.00 0.00 H+0 HETATM 123 H UNK 0 -2.167 3.331 0.590 0.00 0.00 H+0 HETATM 124 H UNK 0 -2.888 4.956 0.776 0.00 0.00 H+0 HETATM 125 H UNK 0 -1.756 5.659 -1.105 0.00 0.00 H+0 HETATM 126 H UNK 0 -2.728 4.523 -2.062 0.00 0.00 H+0 HETATM 127 H UNK 0 -0.568 3.691 -2.502 0.00 0.00 H+0 HETATM 128 H UNK 0 -1.251 2.659 -1.187 0.00 0.00 H+0 HETATM 129 H UNK 0 -0.012 4.480 0.377 0.00 0.00 H+0 HETATM 130 H UNK 0 0.756 3.010 -0.283 0.00 0.00 H+0 HETATM 131 H UNK 0 0.790 5.544 -2.033 0.00 0.00 H+0 HETATM 132 H UNK 0 3.128 5.364 -1.849 0.00 0.00 H+0 HETATM 133 H UNK 0 2.492 3.556 0.614 0.00 0.00 H+0 HETATM 134 H UNK 0 4.284 5.941 0.220 0.00 0.00 H+0 HETATM 135 H UNK 0 3.310 5.402 1.692 0.00 0.00 H+0 HETATM 136 H UNK 0 6.295 5.654 0.040 0.00 0.00 H+0 HETATM 137 H UNK 0 7.050 5.217 1.593 0.00 0.00 H+0 HETATM 138 H UNK 0 7.065 4.013 0.284 0.00 0.00 H+0 HETATM 139 H UNK 0 4.143 4.058 3.170 0.00 0.00 H+0 HETATM 140 H UNK 0 5.507 5.201 3.089 0.00 0.00 H+0 HETATM 141 H UNK 0 5.881 3.426 3.078 0.00 0.00 H+0 HETATM 142 H UNK 0 4.675 4.053 -2.249 0.00 0.00 H+0 HETATM 143 H UNK 0 4.723 1.876 -2.093 0.00 0.00 H+0 HETATM 144 H UNK 0 3.019 2.321 -1.914 0.00 0.00 H+0 HETATM 145 H UNK 0 3.590 1.139 0.571 0.00 0.00 H+0 HETATM 146 H UNK 0 1.608 0.784 -0.482 0.00 0.00 H+0 HETATM 147 H UNK 0 3.195 0.582 -2.969 0.00 0.00 H+0 HETATM 148 H UNK 0 1.513 1.190 -2.693 0.00 0.00 H+0 HETATM 149 H UNK 0 1.822 -0.539 -2.904 0.00 0.00 H+0 CONECT 1 2 65 66 67 CONECT 2 1 3 68 69 CONECT 3 2 4 5 70 CONECT 4 3 71 CONECT 5 3 6 72 73 CONECT 6 5 7 64 74 CONECT 7 6 8 75 76 CONECT 8 7 9 77 78 CONECT 9 8 10 79 80 CONECT 10 9 11 64 61 CONECT 11 10 12 81 82 CONECT 12 11 13 62 83 CONECT 13 12 14 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 84 CONECT 17 16 18 85 CONECT 18 17 19 20 21 CONECT 19 18 86 87 88 CONECT 20 18 89 CONECT 21 18 22 23 90 CONECT 22 21 91 CONECT 23 21 24 25 92 CONECT 24 23 93 94 95 CONECT 25 23 26 27 96 CONECT 26 25 97 CONECT 27 25 28 39 98 CONECT 28 27 29 CONECT 29 28 30 38 99 CONECT 30 29 31 100 101 CONECT 31 30 32 102 103 CONECT 32 31 33 36 104 CONECT 33 32 34 35 CONECT 34 33 105 106 107 CONECT 35 33 108 109 110 CONECT 36 32 37 38 111 CONECT 37 36 112 113 114 CONECT 38 36 29 CONECT 39 27 40 41 115 CONECT 40 39 116 CONECT 41 39 42 43 44 CONECT 42 41 117 118 119 CONECT 43 41 120 CONECT 44 41 45 121 122 CONECT 45 44 46 123 124 CONECT 46 45 47 125 126 CONECT 47 46 48 127 128 CONECT 48 47 49 129 130 CONECT 49 48 50 131 CONECT 50 49 51 132 CONECT 51 50 52 57 133 CONECT 52 51 53 134 135 CONECT 53 52 54 55 56 CONECT 54 53 136 137 138 CONECT 55 53 139 140 141 CONECT 56 53 57 CONECT 57 56 58 59 51 CONECT 58 57 142 CONECT 59 57 60 143 144 CONECT 60 59 61 62 145 CONECT 61 60 10 CONECT 62 60 63 12 146 CONECT 63 62 147 148 149 CONECT 64 10 6 CONECT 65 1 CONECT 66 1 CONECT 67 1 CONECT 68 2 CONECT 69 2 CONECT 70 3 CONECT 71 4 CONECT 72 5 CONECT 73 5 CONECT 74 6 CONECT 75 7 CONECT 76 7 CONECT 77 8 CONECT 78 8 CONECT 79 9 CONECT 80 9 CONECT 81 11 CONECT 82 11 CONECT 83 12 CONECT 84 16 CONECT 85 17 CONECT 86 19 CONECT 87 19 CONECT 88 19 CONECT 89 20 CONECT 90 21 CONECT 91 22 CONECT 92 23 CONECT 93 24 CONECT 94 24 CONECT 95 24 CONECT 96 25 CONECT 97 26 CONECT 98 27 CONECT 99 29 CONECT 100 30 CONECT 101 30 CONECT 102 31 CONECT 103 31 CONECT 104 32 CONECT 105 34 CONECT 106 34 CONECT 107 34 CONECT 108 35 CONECT 109 35 CONECT 110 35 CONECT 111 36 CONECT 112 37 CONECT 113 37 CONECT 114 37 CONECT 115 39 CONECT 116 40 CONECT 117 42 CONECT 118 42 CONECT 119 42 CONECT 120 43 CONECT 121 44 CONECT 122 44 CONECT 123 45 CONECT 124 45 CONECT 125 46 CONECT 126 46 CONECT 127 47 CONECT 128 47 CONECT 129 48 CONECT 130 48 CONECT 131 49 CONECT 132 50 CONECT 133 51 CONECT 134 52 CONECT 135 52 CONECT 136 54 CONECT 137 54 CONECT 138 54 CONECT 139 55 CONECT 140 55 CONECT 141 55 CONECT 142 58 CONECT 143 59 CONECT 144 59 CONECT 145 60 CONECT 146 62 CONECT 147 63 CONECT 148 63 CONECT 149 63 MASTER 0 0 0 0 0 0 0 0 149 0 306 0 END SMILES for NP0023094 (Ossamycin)[H]O[C@]([H])(C([H])([H])C([H])([H])[H])C([H])([H])[C@]1([H])O[C@@]2(O[C@@]3([H])C([H])([H])[C@]4(O[H])OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@@]4([H])\C([H])=C([H])/C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@](O[H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[C@]4([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(N(C([H])([H])[H])C([H])([H])[H])C([H])([H])C4([H])[H])[C@]([H])(O[H])[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@](O[H])(\C([H])=C([H])/C(=O)O[C@@]([H])(C2([H])[H])[C@]3([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H] INCHI for NP0023094 (Ossamycin)InChI=1S/C49H85NO14/c1-11-34(51)26-35-19-17-24-48(62-35)28-37-30(2)38(63-48)29-49(58)33(27-45(5,6)64-49)18-15-13-12-14-16-23-46(7,56)44(55)42(61-40-21-20-36(50(9)10)32(4)59-40)41(53)31(3)43(54)47(8,57)25-22-39(52)60-37/h15,18,22,25,30-38,40-44,51,53-58H,11-14,16-17,19-21,23-24,26-29H2,1-10H3/b18-15-,25-22-/t30-,31+,32-,33+,34+,35+,36-,37-,38-,40-,41+,42-,43-,44+,46+,47+,48+,49-/m0/s1 3D Structure for NP0023094 (Ossamycin) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C49H85NO14 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 912.2120 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 911.59701 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (1'S,2R,3'S,6R,7'S,8'Z,15'R,16'R,17'S,18'R,19'R,20'S,21'R,22'Z,26'S,30'R)-17'-{[(2S,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-3',15',16',18',20',21'-hexahydroxy-6-[(2R)-2-hydroxybutyl]-5',5',15',19',21',30'-hexamethyl-4',25',29'-trioxaspiro[oxane-2,28'-tricyclo[24.3.1.0^{3,7}]triacontane]-8',22'-dien-24'-one | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (1'S,2R,3'S,6R,7'S,8'Z,15'R,16'R,17'S,18'R,19'R,20'S,21'R,22'Z,26'S,30'R)-17'-{[(2S,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-3',15',16',18',20',21'-hexahydroxy-6-[(2R)-2-hydroxybutyl]-5',5',15',19',21',30'-hexamethyl-4',25',29'-trioxaspiro[oxane-2,28'-tricyclo[24.3.1.0^{3,7}]triacontane]-8',22'-dien-24'-one | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC[C@@H](O)C[C@H]1CCC[C@@]2(C[C@@H]3OC(=O)\C=C/[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@H](O[C@H]4CC[C@@H]([C@H](C)O4)N(C)C)[C@@H](O)[C@](C)(O)CCCCC\C=C/[C@@H]4CC(C)(C)O[C@@]4(O)C[C@H](O2)[C@H]3C)O1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C49H85NO14/c1-11-34(51)26-35-19-17-24-48(62-35)28-37-30(2)38(63-48)29-49(58)33(27-45(5,6)64-49)18-15-13-12-14-16-23-46(7,56)44(55)42(61-40-21-20-36(50(9)10)32(4)59-40)41(53)31(3)43(54)47(8,57)25-22-39(52)60-37/h15,18,22,25,30-38,40-44,51,53-58H,11-14,16-17,19-21,23-24,26-29H2,1-10H3/b18-15-,25-22-/t30-,31+,32-,33+,34+,35+,36-,37-,38-,40-,41+,42-,43-,44+,46+,47+,48+,49-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | XGECDDPXIKFBTE-SZBRWVRFSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA002420 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 76962755 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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