Showing NP-Card for Mediomycin A (NP0006921)
| Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 03:50:17 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:56:10 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0006921 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Mediomycin A | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Mediomycin A is found in Kitasatospora mediocidica, Streptomyces and Streptomyces mediocidicus ATCC23936. Based on a literature review very few articles have been published on (2E,4E,6E,10E,13R,14R,15S,16E,18E,20E,22E,24E,26E,33R,35S,36E,39S,41S,43R,44E,47S,49R,50E,53S,55R)-58-amino-13,15,33,35,39,41,43,47,49,53,55-undecahydroxy-2,12,14,30-tetramethyl-31-oxo-29-(sulfooxy)octapentaconta-2,4,6,10,16,18,20,22,24,26,36,44,50-tridecaenoic acid. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0006921 (Mediomycin A)
Mrv1652307012119073D
179178 0 0 0 0 999 V2000
1.8965 3.3020 -6.0422 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1708 3.6713 -5.3963 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9608 2.7654 -4.8470 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6475 1.3576 -4.8317 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5115 0.5257 -4.2463 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2930 -0.9182 -4.1693 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1947 -1.6864 -3.5671 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1561 -3.1291 -3.3888 C 0 0 2 0 0 0 0 0 0 0 0 0
3.9349 -3.7447 -3.9751 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8838 -5.2306 -3.7516 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9218 -5.8515 -3.1171 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8451 -7.3093 -2.8782 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1624 -7.9322 -3.3707 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7660 -7.6363 -1.3941 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8789 -7.1605 -0.7502 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5149 -7.0232 -0.7916 C 0 0 2 0 0 0 0 0 0 0 0 0
1.6007 -7.4281 0.7035 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2369 -7.6815 -1.2804 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1633 -8.9972 -0.9109 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8929 -6.8243 -1.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8365 -6.9362 -0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8754 -5.9256 -0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8796 -5.8725 0.8615 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7763 -4.7669 0.7078 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8389 -4.4527 1.4433 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5976 -3.2904 1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6569 -2.7594 1.7090 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1431 -1.5706 1.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1462 -0.7572 1.4435 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4334 0.3690 0.6087 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.3031 1.3589 0.7829 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.3142 2.3683 -0.3424 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.6756 3.7072 0.0823 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.4061 3.3817 0.6228 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.5324 3.5013 2.3184 S 0 0 2 0 0 6 0 0 0 0 0 0
-8.0580 2.2390 2.9736 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.0038 3.6525 2.7077 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.7346 4.8578 2.8522 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.3854 4.4411 -1.2452 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.6256 3.4437 -2.1582 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2882 5.5247 -1.0132 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6212 6.6478 -1.2019 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9971 5.0822 -0.6113 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.7374 5.7785 -1.1767 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.7712 5.6664 -2.5565 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6121 4.8556 -0.7063 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.2217 5.1882 -1.0809 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0795 5.2126 -2.4468 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3542 4.1765 -0.3972 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0608 4.0140 -0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3485 2.9627 0.2469 C 0 0 1 0 0 0 0 0 0 0 0 0
0.4370 1.9629 -0.6070 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4398 1.3359 -1.4784 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0915 1.0001 0.3420 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9458 -0.0727 -0.2198 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3465 -0.9502 -1.0837 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4432 -0.8740 0.9796 C 0 0 2 0 0 0 0 0 0 0 0 0
3.3359 -2.0098 0.6740 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7579 -2.9827 -0.1604 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6752 -1.7026 0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7293 -1.8558 1.0448 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0898 -1.5568 0.6111 C 0 0 2 0 0 0 0 0 0 0 0 0
7.8840 -0.5666 1.3443 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9877 -1.0802 2.6918 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3982 0.8344 1.5010 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1362 0.9059 2.2651 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3632 0.3397 3.5329 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6778 2.3427 2.4531 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5081 2.5847 3.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9955 4.0011 3.2181 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7004 4.1562 2.4475 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9499 3.9298 1.0704 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0572 5.4931 2.5430 C 0 0 1 0 0 0 0 0 0 0 0 0
1.6753 5.9772 3.8904 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7494 6.1123 4.7779 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5197 5.2762 4.5518 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.7766 5.3657 3.8000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9015 4.6575 4.5407 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5556 3.2441 4.7248 N 0 0 1 0 0 0 0 0 0 0 0 0
3.5434 5.0763 -5.3383 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5990 5.4356 -4.7829 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7096 6.0269 -5.9046 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0101 3.7045 -5.4838 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8101 3.8043 -7.0581 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7698 2.2440 -6.2336 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9018 3.1293 -4.3802 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7709 0.9280 -5.2582 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4177 0.9217 -3.8025 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4290 -1.4311 -4.5752 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0972 -1.1808 -3.1472 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1310 -3.3211 -2.2818 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0857 -3.6138 -3.7733 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0106 -3.6125 -5.0984 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0523 -3.2192 -3.6392 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7259 -5.7829 -4.1658 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0939 -5.2463 -2.7277 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0285 -7.7358 -3.4623 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0971 -8.1496 -4.4497 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2107 -8.9259 -2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0435 -7.3924 -3.0270 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6998 -8.7093 -1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3664 -6.5123 -1.3407 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4513 -5.9570 -0.8361 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5555 -7.0558 1.1475 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5672 -8.5407 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7490 -7.0515 1.2668 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3274 -7.7410 -2.4447 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7542 -9.3371 -1.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0462 -5.9228 -1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7614 -7.7737 0.5885 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8629 -5.1031 -0.7574 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9503 -6.6341 1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6149 -4.0405 -0.1172 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0501 -5.1097 2.2543 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2507 -2.7415 0.1979 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9924 -3.2667 2.5625 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6854 -1.2182 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6276 -1.0367 2.3427 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8532 0.4726 -0.3535 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8720 1.3305 1.6538 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9339 1.9998 -1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3977 2.6067 -0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2520 4.2399 0.7924 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1324 4.7163 3.6289 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1990 4.8385 -1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1821 2.6883 -1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8046 3.9126 -2.6991 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3311 2.9678 -2.8620 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7982 5.0954 0.4845 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8619 3.9771 -0.8732 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6453 6.8040 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4052 4.7874 -2.8442 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7206 4.8190 0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8192 3.8080 -1.0385 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0133 6.2275 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3517 4.6641 -2.8209 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8728 3.4853 0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5531 4.6963 -1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2860 3.4333 1.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1386 2.3880 0.8285 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1853 2.5049 -1.1865 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0056 0.6889 -2.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2342 0.5257 0.9276 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6676 1.5241 1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8807 0.3141 -0.6998 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9350 -1.4029 -1.7047 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5053 -1.3142 1.4391 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8228 -0.1925 1.7599 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4494 -2.5834 1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2653 -3.8217 -0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9205 -1.3544 -0.7829 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5803 -2.1984 2.0595 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1409 -1.4053 -0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6535 -2.5508 0.7148 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9701 -0.5840 1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2074 -2.0311 2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2259 1.3797 2.0598 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3316 1.3549 0.5048 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3133 0.4507 1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9943 0.9717 4.1929 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3276 3.1121 2.1296 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9139 1.7226 3.3066 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8922 4.1756 4.2859 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7215 4.6928 2.7765 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9962 3.3649 2.7541 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7526 3.3402 0.9837 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6288 6.2727 1.9885 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0902 5.4108 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3180 7.0484 3.7439 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3578 6.8398 4.4973 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7829 4.1975 4.7081 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3388 5.7327 5.5502 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0629 6.4453 3.7327 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7155 4.9977 2.7639 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8115 4.6839 3.9171 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1014 5.1044 5.5138 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9608 3.1552 5.5912 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4170 2.6437 4.7875 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3186 6.8118 -5.4286 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 2 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 2 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
18 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 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
35 34 1 6 0 0 0
35 36 2 0 0 0 0
35 37 2 0 0 0 0
35 38 1 0 0 0 0
33 39 1 0 0 0 0
39 40 1 0 0 0 0
39 41 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
44 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
47 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
52 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
55 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
58 60 1 0 0 0 0
60 61 2 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
63 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 1 0 0 0 0
66 68 1 0 0 0 0
68 69 2 0 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
71 72 1 0 0 0 0
71 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 1 0 0 0 0
74 76 1 0 0 0 0
76 77 1 0 0 0 0
77 78 1 0 0 0 0
78 79 1 0 0 0 0
2 80 1 0 0 0 0
80 81 2 0 0 0 0
80 82 1 0 0 0 0
1 83 1 0 0 0 0
1 84 1 0 0 0 0
1 85 1 0 0 0 0
3 86 1 0 0 0 0
4 87 1 0 0 0 0
5 88 1 0 0 0 0
6 89 1 0 0 0 0
7 90 1 0 0 0 0
8 91 1 0 0 0 0
8 92 1 0 0 0 0
9 93 1 0 0 0 0
9 94 1 0 0 0 0
10 95 1 0 0 0 0
11 96 1 0 0 0 0
12 97 1 6 0 0 0
13 98 1 0 0 0 0
13 99 1 0 0 0 0
13100 1 0 0 0 0
14101 1 6 0 0 0
15102 1 0 0 0 0
16103 1 1 0 0 0
17104 1 0 0 0 0
17105 1 0 0 0 0
17106 1 0 0 0 0
18107 1 6 0 0 0
19108 1 0 0 0 0
20109 1 0 0 0 0
21110 1 0 0 0 0
22111 1 0 0 0 0
23112 1 0 0 0 0
24113 1 0 0 0 0
25114 1 0 0 0 0
26115 1 0 0 0 0
27116 1 0 0 0 0
28117 1 0 0 0 0
29118 1 0 0 0 0
30119 1 0 0 0 0
31120 1 0 0 0 0
32121 1 0 0 0 0
32122 1 0 0 0 0
33123 1 1 0 0 0
38124 1 0 0 0 0
39125 1 6 0 0 0
40126 1 0 0 0 0
40127 1 0 0 0 0
40128 1 0 0 0 0
43129 1 0 0 0 0
43130 1 0 0 0 0
44131 1 6 0 0 0
45132 1 0 0 0 0
46133 1 0 0 0 0
46134 1 0 0 0 0
47135 1 1 0 0 0
48136 1 0 0 0 0
49137 1 0 0 0 0
50138 1 0 0 0 0
51139 1 0 0 0 0
51140 1 0 0 0 0
52141 1 6 0 0 0
53142 1 0 0 0 0
54143 1 0 0 0 0
54144 1 0 0 0 0
55145 1 6 0 0 0
56146 1 0 0 0 0
57147 1 0 0 0 0
57148 1 0 0 0 0
58149 1 1 0 0 0
59150 1 0 0 0 0
60151 1 0 0 0 0
61152 1 0 0 0 0
62153 1 0 0 0 0
62154 1 0 0 0 0
63155 1 6 0 0 0
64156 1 0 0 0 0
65157 1 0 0 0 0
65158 1 0 0 0 0
66159 1 6 0 0 0
67160 1 0 0 0 0
68161 1 0 0 0 0
69162 1 0 0 0 0
70163 1 0 0 0 0
70164 1 0 0 0 0
71165 1 1 0 0 0
72166 1 0 0 0 0
73167 1 0 0 0 0
73168 1 0 0 0 0
74169 1 6 0 0 0
75170 1 0 0 0 0
76171 1 0 0 0 0
76172 1 0 0 0 0
77173 1 0 0 0 0
77174 1 0 0 0 0
78175 1 0 0 0 0
78176 1 0 0 0 0
79177 1 0 0 0 0
79178 1 0 0 0 0
82179 1 0 0 0 0
M END
3D MOL for NP0006921 (Mediomycin A)
RDKit 3D
179178 0 0 0 0 0 0 0 0999 V2000
1.8965 3.3020 -6.0422 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1708 3.6713 -5.3963 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9608 2.7654 -4.8470 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6475 1.3576 -4.8317 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5115 0.5257 -4.2463 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2930 -0.9182 -4.1693 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1947 -1.6864 -3.5671 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1561 -3.1291 -3.3888 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9349 -3.7447 -3.9751 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8838 -5.2306 -3.7516 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9218 -5.8515 -3.1171 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8451 -7.3093 -2.8782 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1624 -7.9322 -3.3707 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7660 -7.6363 -1.3941 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8789 -7.1605 -0.7502 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5149 -7.0232 -0.7916 C 0 0 2 0 0 0 0 0 0 0 0 0
1.6007 -7.4281 0.7035 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2369 -7.6815 -1.2804 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1633 -8.9972 -0.9109 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8929 -6.8243 -1.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8365 -6.9362 -0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8754 -5.9256 -0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8796 -5.8725 0.8615 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7763 -4.7669 0.7078 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8389 -4.4527 1.4433 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5976 -3.2904 1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6569 -2.7594 1.7090 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1431 -1.5706 1.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1462 -0.7572 1.4435 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4334 0.3690 0.6087 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.3031 1.3589 0.7829 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.3142 2.3683 -0.3424 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6756 3.7072 0.0823 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.4061 3.3817 0.6228 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.5324 3.5013 2.3184 S 0 0 2 0 0 6 0 0 0 0 0 0
-8.0580 2.2390 2.9736 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.0038 3.6525 2.7077 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.7346 4.8578 2.8522 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.3854 4.4411 -1.2452 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.6256 3.4437 -2.1582 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2882 5.5247 -1.0132 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6212 6.6478 -1.2019 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9971 5.0822 -0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7374 5.7785 -1.1767 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.7712 5.6664 -2.5565 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6121 4.8556 -0.7063 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2217 5.1882 -1.0809 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0795 5.2126 -2.4468 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3542 4.1765 -0.3972 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0608 4.0140 -0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3485 2.9627 0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4370 1.9629 -0.6070 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4398 1.3359 -1.4784 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0915 1.0001 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9458 -0.0727 -0.2198 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3465 -0.9502 -1.0837 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4432 -0.8740 0.9796 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3359 -2.0098 0.6740 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7579 -2.9827 -0.1604 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6752 -1.7026 0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7293 -1.8558 1.0448 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0898 -1.5568 0.6111 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8840 -0.5666 1.3443 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9877 -1.0802 2.6918 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3982 0.8344 1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1362 0.9059 2.2651 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3632 0.3397 3.5329 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6778 2.3427 2.4531 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5081 2.5847 3.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9955 4.0011 3.2181 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7004 4.1562 2.4475 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9499 3.9298 1.0704 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0572 5.4931 2.5430 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6753 5.9772 3.8904 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7494 6.1123 4.7779 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5197 5.2762 4.5518 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7766 5.3657 3.8000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9015 4.6575 4.5407 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5556 3.2441 4.7248 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5434 5.0763 -5.3383 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5990 5.4356 -4.7829 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7096 6.0269 -5.9046 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0101 3.7045 -5.4838 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8101 3.8043 -7.0581 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7698 2.2440 -6.2336 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9018 3.1293 -4.3802 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7709 0.9280 -5.2582 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4177 0.9217 -3.8025 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4290 -1.4311 -4.5752 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0972 -1.1808 -3.1472 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1310 -3.3211 -2.2818 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0857 -3.6138 -3.7733 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0106 -3.6125 -5.0984 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0523 -3.2192 -3.6392 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7259 -5.7829 -4.1658 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0939 -5.2463 -2.7277 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0285 -7.7358 -3.4623 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0971 -8.1496 -4.4497 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2107 -8.9259 -2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0435 -7.3924 -3.0270 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6998 -8.7093 -1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3664 -6.5123 -1.3407 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4513 -5.9570 -0.8361 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5555 -7.0558 1.1475 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5672 -8.5407 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7490 -7.0515 1.2668 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3274 -7.7410 -2.4447 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7542 -9.3371 -1.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0462 -5.9228 -1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7614 -7.7737 0.5885 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8629 -5.1031 -0.7574 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9503 -6.6341 1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6149 -4.0405 -0.1172 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0501 -5.1097 2.2543 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2507 -2.7415 0.1979 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9924 -3.2667 2.5625 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6854 -1.2182 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6276 -1.0367 2.3427 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8532 0.4726 -0.3535 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8720 1.3305 1.6538 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9339 1.9998 -1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3977 2.6067 -0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2520 4.2399 0.7924 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1324 4.7163 3.6289 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1990 4.8385 -1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1821 2.6883 -1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8046 3.9126 -2.6991 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3311 2.9678 -2.8620 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7982 5.0954 0.4845 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8619 3.9771 -0.8732 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6453 6.8040 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4052 4.7874 -2.8442 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7206 4.8190 0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8192 3.8080 -1.0385 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0133 6.2275 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3517 4.6641 -2.8209 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8728 3.4853 0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5531 4.6963 -1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2860 3.4333 1.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1386 2.3880 0.8285 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1853 2.5049 -1.1865 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0056 0.6889 -2.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2342 0.5257 0.9276 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6676 1.5241 1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8807 0.3141 -0.6998 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9350 -1.4029 -1.7047 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5053 -1.3142 1.4391 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8228 -0.1925 1.7599 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4494 -2.5834 1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2653 -3.8217 -0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9205 -1.3544 -0.7829 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5803 -2.1984 2.0595 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1409 -1.4053 -0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6535 -2.5508 0.7148 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9701 -0.5840 1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2074 -2.0311 2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2259 1.3797 2.0598 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3316 1.3549 0.5048 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3133 0.4507 1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9943 0.9717 4.1929 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3276 3.1121 2.1296 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9139 1.7226 3.3066 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8922 4.1756 4.2859 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7215 4.6928 2.7765 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9962 3.3649 2.7541 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7526 3.3402 0.9837 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6288 6.2727 1.9885 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0902 5.4108 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3180 7.0484 3.7439 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3578 6.8398 4.4973 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7829 4.1975 4.7081 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3388 5.7327 5.5502 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0629 6.4453 3.7327 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7155 4.9977 2.7639 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8115 4.6839 3.9171 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1014 5.1044 5.5138 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9608 3.1552 5.5912 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4170 2.6437 4.7875 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3186 6.8118 -5.4286 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 1 0
12 14 1 0
14 15 1 0
14 16 1 0
16 17 1 0
16 18 1 0
18 19 1 0
18 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
23 24 1 0
24 25 2 0
25 26 1 0
26 27 2 0
27 28 1 0
28 29 2 0
29 30 1 0
30 31 2 0
31 32 1 0
32 33 1 0
33 34 1 0
35 34 1 6
35 36 2 0
35 37 2 0
35 38 1 0
33 39 1 0
39 40 1 0
39 41 1 0
41 42 2 0
41 43 1 0
43 44 1 0
44 45 1 0
44 46 1 0
46 47 1 0
47 48 1 0
47 49 1 0
49 50 2 0
50 51 1 0
51 52 1 0
52 53 1 0
52 54 1 0
54 55 1 0
55 56 1 0
55 57 1 0
57 58 1 0
58 59 1 0
58 60 1 0
60 61 2 0
61 62 1 0
62 63 1 0
63 64 1 0
63 65 1 0
65 66 1 0
66 67 1 0
66 68 1 0
68 69 2 0
69 70 1 0
70 71 1 0
71 72 1 0
71 73 1 0
73 74 1 0
74 75 1 0
74 76 1 0
76 77 1 0
77 78 1 0
78 79 1 0
2 80 1 0
80 81 2 0
80 82 1 0
1 83 1 0
1 84 1 0
1 85 1 0
3 86 1 0
4 87 1 0
5 88 1 0
6 89 1 0
7 90 1 0
8 91 1 0
8 92 1 0
9 93 1 0
9 94 1 0
10 95 1 0
11 96 1 0
12 97 1 6
13 98 1 0
13 99 1 0
13100 1 0
14101 1 6
15102 1 0
16103 1 1
17104 1 0
17105 1 0
17106 1 0
18107 1 6
19108 1 0
20109 1 0
21110 1 0
22111 1 0
23112 1 0
24113 1 0
25114 1 0
26115 1 0
27116 1 0
28117 1 0
29118 1 0
30119 1 0
31120 1 0
32121 1 0
32122 1 0
33123 1 1
38124 1 0
39125 1 6
40126 1 0
40127 1 0
40128 1 0
43129 1 0
43130 1 0
44131 1 6
45132 1 0
46133 1 0
46134 1 0
47135 1 1
48136 1 0
49137 1 0
50138 1 0
51139 1 0
51140 1 0
52141 1 6
53142 1 0
54143 1 0
54144 1 0
55145 1 6
56146 1 0
57147 1 0
57148 1 0
58149 1 1
59150 1 0
60151 1 0
61152 1 0
62153 1 0
62154 1 0
63155 1 6
64156 1 0
65157 1 0
65158 1 0
66159 1 6
67160 1 0
68161 1 0
69162 1 0
70163 1 0
70164 1 0
71165 1 1
72166 1 0
73167 1 0
73168 1 0
74169 1 6
75170 1 0
76171 1 0
76172 1 0
77173 1 0
77174 1 0
78175 1 0
78176 1 0
79177 1 0
79178 1 0
82179 1 0
M END
3D SDF for NP0006921 (Mediomycin A)
Mrv1652307012119073D
179178 0 0 0 0 999 V2000
1.8965 3.3020 -6.0422 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1708 3.6713 -5.3963 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9608 2.7654 -4.8470 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6475 1.3576 -4.8317 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5115 0.5257 -4.2463 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2930 -0.9182 -4.1693 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1947 -1.6864 -3.5671 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1561 -3.1291 -3.3888 C 0 0 2 0 0 0 0 0 0 0 0 0
3.9349 -3.7447 -3.9751 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8838 -5.2306 -3.7516 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9218 -5.8515 -3.1171 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8451 -7.3093 -2.8782 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1624 -7.9322 -3.3707 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7660 -7.6363 -1.3941 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8789 -7.1605 -0.7502 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5149 -7.0232 -0.7916 C 0 0 2 0 0 0 0 0 0 0 0 0
1.6007 -7.4281 0.7035 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2369 -7.6815 -1.2804 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1633 -8.9972 -0.9109 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8929 -6.8243 -1.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8365 -6.9362 -0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8754 -5.9256 -0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8796 -5.8725 0.8615 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7763 -4.7669 0.7078 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8389 -4.4527 1.4433 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5976 -3.2904 1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6569 -2.7594 1.7090 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1431 -1.5706 1.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1462 -0.7572 1.4435 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4334 0.3690 0.6087 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.3031 1.3589 0.7829 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.3142 2.3683 -0.3424 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.6756 3.7072 0.0823 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.4061 3.3817 0.6228 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.5324 3.5013 2.3184 S 0 0 2 0 0 6 0 0 0 0 0 0
-8.0580 2.2390 2.9736 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.0038 3.6525 2.7077 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.7346 4.8578 2.8522 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.3854 4.4411 -1.2452 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.6256 3.4437 -2.1582 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2882 5.5247 -1.0132 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6212 6.6478 -1.2019 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9971 5.0822 -0.6113 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.7374 5.7785 -1.1767 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.7712 5.6664 -2.5565 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6121 4.8556 -0.7063 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.2217 5.1882 -1.0809 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0795 5.2126 -2.4468 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3542 4.1765 -0.3972 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0608 4.0140 -0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3485 2.9627 0.2469 C 0 0 1 0 0 0 0 0 0 0 0 0
0.4370 1.9629 -0.6070 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4398 1.3359 -1.4784 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0915 1.0001 0.3420 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9458 -0.0727 -0.2198 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3465 -0.9502 -1.0837 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4432 -0.8740 0.9796 C 0 0 2 0 0 0 0 0 0 0 0 0
3.3359 -2.0098 0.6740 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7579 -2.9827 -0.1604 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6752 -1.7026 0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7293 -1.8558 1.0448 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0898 -1.5568 0.6111 C 0 0 2 0 0 0 0 0 0 0 0 0
7.8840 -0.5666 1.3443 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9877 -1.0802 2.6918 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3982 0.8344 1.5010 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1362 0.9059 2.2651 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3632 0.3397 3.5329 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6778 2.3427 2.4531 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5081 2.5847 3.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9955 4.0011 3.2181 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7004 4.1562 2.4475 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9499 3.9298 1.0704 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0572 5.4931 2.5430 C 0 0 1 0 0 0 0 0 0 0 0 0
1.6753 5.9772 3.8904 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7494 6.1123 4.7779 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5197 5.2762 4.5518 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.7766 5.3657 3.8000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9015 4.6575 4.5407 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5556 3.2441 4.7248 N 0 0 1 0 0 0 0 0 0 0 0 0
3.5434 5.0763 -5.3383 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5990 5.4356 -4.7829 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7096 6.0269 -5.9046 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0101 3.7045 -5.4838 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8101 3.8043 -7.0581 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7698 2.2440 -6.2336 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9018 3.1293 -4.3802 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7709 0.9280 -5.2582 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4177 0.9217 -3.8025 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4290 -1.4311 -4.5752 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0972 -1.1808 -3.1472 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1310 -3.3211 -2.2818 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0857 -3.6138 -3.7733 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0106 -3.6125 -5.0984 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0523 -3.2192 -3.6392 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7259 -5.7829 -4.1658 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0939 -5.2463 -2.7277 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0285 -7.7358 -3.4623 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0971 -8.1496 -4.4497 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2107 -8.9259 -2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0435 -7.3924 -3.0270 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6998 -8.7093 -1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3664 -6.5123 -1.3407 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4513 -5.9570 -0.8361 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5555 -7.0558 1.1475 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5672 -8.5407 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7490 -7.0515 1.2668 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3274 -7.7410 -2.4447 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7542 -9.3371 -1.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0462 -5.9228 -1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7614 -7.7737 0.5885 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8629 -5.1031 -0.7574 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9503 -6.6341 1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6149 -4.0405 -0.1172 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0501 -5.1097 2.2543 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2507 -2.7415 0.1979 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9924 -3.2667 2.5625 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6854 -1.2182 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6276 -1.0367 2.3427 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8532 0.4726 -0.3535 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8720 1.3305 1.6538 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9339 1.9998 -1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3977 2.6067 -0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2520 4.2399 0.7924 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1324 4.7163 3.6289 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1990 4.8385 -1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1821 2.6883 -1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8046 3.9126 -2.6991 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3311 2.9678 -2.8620 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7982 5.0954 0.4845 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8619 3.9771 -0.8732 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6453 6.8040 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4052 4.7874 -2.8442 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7206 4.8190 0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8192 3.8080 -1.0385 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0133 6.2275 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3517 4.6641 -2.8209 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8728 3.4853 0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5531 4.6963 -1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2860 3.4333 1.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1386 2.3880 0.8285 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1853 2.5049 -1.1865 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0056 0.6889 -2.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2342 0.5257 0.9276 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6676 1.5241 1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8807 0.3141 -0.6998 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9350 -1.4029 -1.7047 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5053 -1.3142 1.4391 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8228 -0.1925 1.7599 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4494 -2.5834 1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2653 -3.8217 -0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9205 -1.3544 -0.7829 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5803 -2.1984 2.0595 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1409 -1.4053 -0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6535 -2.5508 0.7148 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9701 -0.5840 1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2074 -2.0311 2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2259 1.3797 2.0598 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3316 1.3549 0.5048 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3133 0.4507 1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9943 0.9717 4.1929 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3276 3.1121 2.1296 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9139 1.7226 3.3066 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8922 4.1756 4.2859 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7215 4.6928 2.7765 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9962 3.3649 2.7541 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7526 3.3402 0.9837 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6288 6.2727 1.9885 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0902 5.4108 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3180 7.0484 3.7439 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3578 6.8398 4.4973 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7829 4.1975 4.7081 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3388 5.7327 5.5502 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0629 6.4453 3.7327 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7155 4.9977 2.7639 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8115 4.6839 3.9171 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1014 5.1044 5.5138 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9608 3.1552 5.5912 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4170 2.6437 4.7875 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3186 6.8118 -5.4286 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 2 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 2 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
18 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 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
35 34 1 6 0 0 0
35 36 2 0 0 0 0
35 37 2 0 0 0 0
35 38 1 0 0 0 0
33 39 1 0 0 0 0
39 40 1 0 0 0 0
39 41 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
44 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
47 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
52 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
55 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
58 60 1 0 0 0 0
60 61 2 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 1 0 0 0 0
63 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 1 0 0 0 0
66 68 1 0 0 0 0
68 69 2 0 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
71 72 1 0 0 0 0
71 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 1 0 0 0 0
74 76 1 0 0 0 0
76 77 1 0 0 0 0
77 78 1 0 0 0 0
78 79 1 0 0 0 0
2 80 1 0 0 0 0
80 81 2 0 0 0 0
80 82 1 0 0 0 0
1 83 1 0 0 0 0
1 84 1 0 0 0 0
1 85 1 0 0 0 0
3 86 1 0 0 0 0
4 87 1 0 0 0 0
5 88 1 0 0 0 0
6 89 1 0 0 0 0
7 90 1 0 0 0 0
8 91 1 0 0 0 0
8 92 1 0 0 0 0
9 93 1 0 0 0 0
9 94 1 0 0 0 0
10 95 1 0 0 0 0
11 96 1 0 0 0 0
12 97 1 6 0 0 0
13 98 1 0 0 0 0
13 99 1 0 0 0 0
13100 1 0 0 0 0
14101 1 6 0 0 0
15102 1 0 0 0 0
16103 1 1 0 0 0
17104 1 0 0 0 0
17105 1 0 0 0 0
17106 1 0 0 0 0
18107 1 6 0 0 0
19108 1 0 0 0 0
20109 1 0 0 0 0
21110 1 0 0 0 0
22111 1 0 0 0 0
23112 1 0 0 0 0
24113 1 0 0 0 0
25114 1 0 0 0 0
26115 1 0 0 0 0
27116 1 0 0 0 0
28117 1 0 0 0 0
29118 1 0 0 0 0
30119 1 0 0 0 0
31120 1 0 0 0 0
32121 1 0 0 0 0
32122 1 0 0 0 0
33123 1 1 0 0 0
38124 1 0 0 0 0
39125 1 6 0 0 0
40126 1 0 0 0 0
40127 1 0 0 0 0
40128 1 0 0 0 0
43129 1 0 0 0 0
43130 1 0 0 0 0
44131 1 6 0 0 0
45132 1 0 0 0 0
46133 1 0 0 0 0
46134 1 0 0 0 0
47135 1 1 0 0 0
48136 1 0 0 0 0
49137 1 0 0 0 0
50138 1 0 0 0 0
51139 1 0 0 0 0
51140 1 0 0 0 0
52141 1 6 0 0 0
53142 1 0 0 0 0
54143 1 0 0 0 0
54144 1 0 0 0 0
55145 1 6 0 0 0
56146 1 0 0 0 0
57147 1 0 0 0 0
57148 1 0 0 0 0
58149 1 1 0 0 0
59150 1 0 0 0 0
60151 1 0 0 0 0
61152 1 0 0 0 0
62153 1 0 0 0 0
62154 1 0 0 0 0
63155 1 6 0 0 0
64156 1 0 0 0 0
65157 1 0 0 0 0
65158 1 0 0 0 0
66159 1 6 0 0 0
67160 1 0 0 0 0
68161 1 0 0 0 0
69162 1 0 0 0 0
70163 1 0 0 0 0
70164 1 0 0 0 0
71165 1 1 0 0 0
72166 1 0 0 0 0
73167 1 0 0 0 0
73168 1 0 0 0 0
74169 1 6 0 0 0
75170 1 0 0 0 0
76171 1 0 0 0 0
76172 1 0 0 0 0
77173 1 0 0 0 0
77174 1 0 0 0 0
78175 1 0 0 0 0
78176 1 0 0 0 0
79177 1 0 0 0 0
79178 1 0 0 0 0
82179 1 0 0 0 0
M END
> <DATABASE_ID>
NP0006921
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)C(=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])[C@@]([H])(O[S](=O)(=O)O[H])[C@@]([H])(C(=O)C([H])([H])[C@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])[C@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])[C@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])[C@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])[H])\C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C62H97NO18S/c1-45(27-19-15-11-10-12-16-20-28-46(2)62(76)77)61(75)48(4)58(73)36-21-17-13-8-6-5-7-9-14-18-22-37-60(81-82(78,79)80)47(3)59(74)44-57(72)43-54(69)34-25-33-53(68)42-56(71)41-52(67)32-24-31-50(65)39-49(64)29-23-30-51(66)40-55(70)35-26-38-63/h5-10,12-14,16-25,27-29,32,34,36,45,47-58,60-61,64-73,75H,11,15,26,30-31,33,35,37-44,63H2,1-4H3,(H,76,77)(H,78,79,80)/b7-5+,8-6+,12-10+,14-9+,17-13+,20-16+,22-18+,27-19+,29-23+,32-24+,34-25+,36-21+,46-28+/t45-,47-,48-,49+,50+,51+,52+,53+,54-,55-,56-,57-,58+,60-,61-/m1/s1
> <INCHI_KEY>
RDEZRSOXSQHNOU-XTQYLRKSSA-N
> <FORMULA>
C62H97NO18S
> <MOLECULAR_WEIGHT>
1176.51
> <EXACT_MASS>
1175.642636461
> <JCHEM_ACCEPTOR_COUNT>
18
> <JCHEM_ATOM_COUNT>
179
> <JCHEM_AVERAGE_POLARIZABILITY>
131.49191093442874
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
14
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2E,4E,6E,10E,12R,13R,14R,15S,16E,18E,20E,22E,24E,26E,29R,30S,33R,35S,36E,39S,41S,43R,44E,47S,49R,50E,53S,55R)-58-amino-13,15,33,35,39,41,43,47,49,53,55-undecahydroxy-2,12,14,30-tetramethyl-31-oxo-29-(sulfooxy)octapentaconta-2,4,6,10,16,18,20,22,24,26,36,44,50-tridecaenoic acid
> <ALOGPS_LOGP>
0.92
> <JCHEM_LOGP>
2.5456954285424405
> <ALOGPS_LOGS>
-5.13
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
0
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1
> <JCHEM_PKA>
4.649123988515981
> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.471582576272934
> <JCHEM_PKA_STRONGEST_BASIC>
9.90261200892235
> <JCHEM_POLAR_SURFACE_AREA>
366.52
> <JCHEM_REFRACTIVITY>
335.7055
> <JCHEM_ROTATABLE_BOND_COUNT>
46
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
8.80e-03 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2E,4E,6E,10E,12R,13R,14R,15S,16E,18E,20E,22E,24E,26E,29R,30S,33R,35S,36E,39S,41S,43R,44E,47S,49R,50E,53S,55R)-58-amino-13,15,33,35,39,41,43,47,49,53,55-undecahydroxy-2,12,14,30-tetramethyl-31-oxo-29-(sulfooxy)octapentaconta-2,4,6,10,16,18,20,22,24,26,36,44,50-tridecaenoic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0006921 (Mediomycin A)
RDKit 3D
179178 0 0 0 0 0 0 0 0999 V2000
1.8965 3.3020 -6.0422 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1708 3.6713 -5.3963 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9608 2.7654 -4.8470 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6475 1.3576 -4.8317 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5115 0.5257 -4.2463 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2930 -0.9182 -4.1693 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1947 -1.6864 -3.5671 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1561 -3.1291 -3.3888 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9349 -3.7447 -3.9751 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8838 -5.2306 -3.7516 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9218 -5.8515 -3.1171 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8451 -7.3093 -2.8782 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1624 -7.9322 -3.3707 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7660 -7.6363 -1.3941 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8789 -7.1605 -0.7502 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5149 -7.0232 -0.7916 C 0 0 2 0 0 0 0 0 0 0 0 0
1.6007 -7.4281 0.7035 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2369 -7.6815 -1.2804 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1633 -8.9972 -0.9109 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8929 -6.8243 -1.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8365 -6.9362 -0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8754 -5.9256 -0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8796 -5.8725 0.8615 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7763 -4.7669 0.7078 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8389 -4.4527 1.4433 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5976 -3.2904 1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6569 -2.7594 1.7090 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1431 -1.5706 1.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1462 -0.7572 1.4435 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4334 0.3690 0.6087 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.3031 1.3589 0.7829 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.3142 2.3683 -0.3424 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6756 3.7072 0.0823 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.4061 3.3817 0.6228 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.5324 3.5013 2.3184 S 0 0 2 0 0 6 0 0 0 0 0 0
-8.0580 2.2390 2.9736 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.0038 3.6525 2.7077 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.7346 4.8578 2.8522 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.3854 4.4411 -1.2452 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.6256 3.4437 -2.1582 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2882 5.5247 -1.0132 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6212 6.6478 -1.2019 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9971 5.0822 -0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7374 5.7785 -1.1767 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.7712 5.6664 -2.5565 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6121 4.8556 -0.7063 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2217 5.1882 -1.0809 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0795 5.2126 -2.4468 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3542 4.1765 -0.3972 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0608 4.0140 -0.5067 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3485 2.9627 0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4370 1.9629 -0.6070 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4398 1.3359 -1.4784 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0915 1.0001 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9458 -0.0727 -0.2198 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3465 -0.9502 -1.0837 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4432 -0.8740 0.9796 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3359 -2.0098 0.6740 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7579 -2.9827 -0.1604 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6752 -1.7026 0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7293 -1.8558 1.0448 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0898 -1.5568 0.6111 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8840 -0.5666 1.3443 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9877 -1.0802 2.6918 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3982 0.8344 1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1362 0.9059 2.2651 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3632 0.3397 3.5329 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6778 2.3427 2.4531 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5081 2.5847 3.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9955 4.0011 3.2181 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7004 4.1562 2.4475 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9499 3.9298 1.0704 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0572 5.4931 2.5430 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6753 5.9772 3.8904 C 0 0 2 0 0 0 0 0 0 0 0 0
2.7494 6.1123 4.7779 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5197 5.2762 4.5518 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7766 5.3657 3.8000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9015 4.6575 4.5407 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5556 3.2441 4.7248 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5434 5.0763 -5.3383 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.0101 3.7045 -5.4838 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.7698 2.2440 -6.2336 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.7709 0.9280 -5.2582 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4177 0.9217 -3.8025 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.5555 -7.0558 1.1475 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5672 -8.5407 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7490 -7.0515 1.2668 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3274 -7.7410 -2.4447 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7542 -9.3371 -1.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
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-1.7614 -7.7737 0.5885 H 0 0 0 0 0 0 0 0 0 0 0 0
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-3.9503 -6.6341 1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0
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-6.2507 -2.7415 0.1979 H 0 0 0 0 0 0 0 0 0 0 0 0
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-8.8532 0.4726 -0.3535 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8720 1.3305 1.6538 H 0 0 0 0 0 0 0 0 0 0 0 0
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-11.3977 2.6067 -0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2520 4.2399 0.7924 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1324 4.7163 3.6289 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1990 4.8385 -1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1821 2.6883 -1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0
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-9.3311 2.9678 -2.8620 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7982 5.0954 0.4845 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8619 3.9771 -0.8732 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6453 6.8040 -0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4052 4.7874 -2.8442 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7206 4.8190 0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8192 3.8080 -1.0385 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0133 6.2275 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3517 4.6641 -2.8209 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8728 3.4853 0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5531 4.6963 -1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2860 3.4333 1.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1386 2.3880 0.8285 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1853 2.5049 -1.1865 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0056 0.6889 -2.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2342 0.5257 0.9276 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6676 1.5241 1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8807 0.3141 -0.6998 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9350 -1.4029 -1.7047 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5053 -1.3142 1.4391 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8228 -0.1925 1.7599 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4494 -2.5834 1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2653 -3.8217 -0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9205 -1.3544 -0.7829 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5803 -2.1984 2.0595 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1409 -1.4053 -0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6535 -2.5508 0.7148 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9701 -0.5840 1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2074 -2.0311 2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2259 1.3797 2.0598 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3316 1.3549 0.5048 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3133 0.4507 1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9943 0.9717 4.1929 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3276 3.1121 2.1296 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9139 1.7226 3.3066 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8922 4.1756 4.2859 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7215 4.6928 2.7765 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9962 3.3649 2.7541 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7526 3.3402 0.9837 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6288 6.2727 1.9885 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0902 5.4108 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3180 7.0484 3.7439 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3578 6.8398 4.4973 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7829 4.1975 4.7081 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3388 5.7327 5.5502 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0629 6.4453 3.7327 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7155 4.9977 2.7639 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8115 4.6839 3.9171 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1014 5.1044 5.5138 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9608 3.1552 5.5912 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4170 2.6437 4.7875 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3186 6.8118 -5.4286 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 1 0
12 14 1 0
14 15 1 0
14 16 1 0
16 17 1 0
16 18 1 0
18 19 1 0
18 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
23 24 1 0
24 25 2 0
25 26 1 0
26 27 2 0
27 28 1 0
28 29 2 0
29 30 1 0
30 31 2 0
31 32 1 0
32 33 1 0
33 34 1 0
35 34 1 6
35 36 2 0
35 37 2 0
35 38 1 0
33 39 1 0
39 40 1 0
39 41 1 0
41 42 2 0
41 43 1 0
43 44 1 0
44 45 1 0
44 46 1 0
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12 97 1 6
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13100 1 0
14101 1 6
15102 1 0
16103 1 1
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17105 1 0
17106 1 0
18107 1 6
19108 1 0
20109 1 0
21110 1 0
22111 1 0
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30119 1 0
31120 1 0
32121 1 0
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33123 1 1
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39125 1 6
40126 1 0
40127 1 0
40128 1 0
43129 1 0
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44131 1 6
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50138 1 0
51139 1 0
51140 1 0
52141 1 6
53142 1 0
54143 1 0
54144 1 0
55145 1 6
56146 1 0
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58149 1 1
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60151 1 0
61152 1 0
62153 1 0
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64156 1 0
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70163 1 0
70164 1 0
71165 1 1
72166 1 0
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75170 1 0
76171 1 0
76172 1 0
77173 1 0
77174 1 0
78175 1 0
78176 1 0
79177 1 0
79178 1 0
82179 1 0
M END
PDB for NP0006921 (Mediomycin A)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 1.897 3.302 -6.042 0.00 0.00 C+0 HETATM 2 C UNK 0 3.171 3.671 -5.396 0.00 0.00 C+0 HETATM 3 C UNK 0 3.961 2.765 -4.847 0.00 0.00 C+0 HETATM 4 C UNK 0 3.648 1.358 -4.832 0.00 0.00 C+0 HETATM 5 C UNK 0 4.511 0.526 -4.246 0.00 0.00 C+0 HETATM 6 C UNK 0 4.293 -0.918 -4.169 0.00 0.00 C+0 HETATM 7 C UNK 0 5.195 -1.686 -3.567 0.00 0.00 C+0 HETATM 8 C UNK 0 5.156 -3.129 -3.389 0.00 0.00 C+0 HETATM 9 C UNK 0 3.935 -3.745 -3.975 0.00 0.00 C+0 HETATM 10 C UNK 0 3.884 -5.231 -3.752 0.00 0.00 C+0 HETATM 11 C UNK 0 2.922 -5.851 -3.117 0.00 0.00 C+0 HETATM 12 C UNK 0 2.845 -7.309 -2.878 0.00 0.00 C+0 HETATM 13 C UNK 0 4.162 -7.932 -3.371 0.00 0.00 C+0 HETATM 14 C UNK 0 2.766 -7.636 -1.394 0.00 0.00 C+0 HETATM 15 O UNK 0 3.879 -7.160 -0.750 0.00 0.00 O+0 HETATM 16 C UNK 0 1.515 -7.023 -0.792 0.00 0.00 C+0 HETATM 17 C UNK 0 1.601 -7.428 0.704 0.00 0.00 C+0 HETATM 18 C UNK 0 0.237 -7.681 -1.280 0.00 0.00 C+0 HETATM 19 O UNK 0 0.163 -8.997 -0.911 0.00 0.00 O+0 HETATM 20 C UNK 0 -0.893 -6.824 -1.010 0.00 0.00 C+0 HETATM 21 C UNK 0 -1.837 -6.936 -0.070 0.00 0.00 C+0 HETATM 22 C UNK 0 -2.875 -5.926 -0.012 0.00 0.00 C+0 HETATM 23 C UNK 0 -3.880 -5.872 0.862 0.00 0.00 C+0 HETATM 24 C UNK 0 -4.776 -4.767 0.708 0.00 0.00 C+0 HETATM 25 C UNK 0 -5.839 -4.453 1.443 0.00 0.00 C+0 HETATM 26 C UNK 0 -6.598 -3.290 1.107 0.00 0.00 C+0 HETATM 27 C UNK 0 -7.657 -2.759 1.709 0.00 0.00 C+0 HETATM 28 C UNK 0 -8.143 -1.571 1.060 0.00 0.00 C+0 HETATM 29 C UNK 0 -9.146 -0.757 1.444 0.00 0.00 C+0 HETATM 30 C UNK 0 -9.433 0.369 0.609 0.00 0.00 C+0 HETATM 31 C UNK 0 -10.303 1.359 0.783 0.00 0.00 C+0 HETATM 32 C UNK 0 -10.314 2.368 -0.342 0.00 0.00 C+0 HETATM 33 C UNK 0 -9.676 3.707 0.082 0.00 0.00 C+0 HETATM 34 O UNK 0 -8.406 3.382 0.623 0.00 0.00 O+0 HETATM 35 S UNK 0 -8.532 3.501 2.318 0.00 0.00 S+0 HETATM 36 O UNK 0 -8.058 2.239 2.974 0.00 0.00 O+0 HETATM 37 O UNK 0 -10.004 3.652 2.708 0.00 0.00 O+0 HETATM 38 O UNK 0 -7.735 4.858 2.852 0.00 0.00 O+0 HETATM 39 C UNK 0 -9.385 4.441 -1.245 0.00 0.00 C+0 HETATM 40 C UNK 0 -8.626 3.444 -2.158 0.00 0.00 C+0 HETATM 41 C UNK 0 -8.288 5.525 -1.013 0.00 0.00 C+0 HETATM 42 O UNK 0 -8.621 6.648 -1.202 0.00 0.00 O+0 HETATM 43 C UNK 0 -6.997 5.082 -0.611 0.00 0.00 C+0 HETATM 44 C UNK 0 -5.737 5.779 -1.177 0.00 0.00 C+0 HETATM 45 O UNK 0 -5.771 5.666 -2.557 0.00 0.00 O+0 HETATM 46 C UNK 0 -4.612 4.856 -0.706 0.00 0.00 C+0 HETATM 47 C UNK 0 -3.222 5.188 -1.081 0.00 0.00 C+0 HETATM 48 O UNK 0 -3.079 5.213 -2.447 0.00 0.00 O+0 HETATM 49 C UNK 0 -2.354 4.176 -0.397 0.00 0.00 C+0 HETATM 50 C UNK 0 -1.061 4.014 -0.507 0.00 0.00 C+0 HETATM 51 C UNK 0 -0.349 2.963 0.247 0.00 0.00 C+0 HETATM 52 C UNK 0 0.437 1.963 -0.607 0.00 0.00 C+0 HETATM 53 O UNK 0 -0.440 1.336 -1.478 0.00 0.00 O+0 HETATM 54 C UNK 0 1.091 1.000 0.342 0.00 0.00 C+0 HETATM 55 C UNK 0 1.946 -0.073 -0.220 0.00 0.00 C+0 HETATM 56 O UNK 0 1.347 -0.950 -1.084 0.00 0.00 O+0 HETATM 57 C UNK 0 2.443 -0.874 0.980 0.00 0.00 C+0 HETATM 58 C UNK 0 3.336 -2.010 0.674 0.00 0.00 C+0 HETATM 59 O UNK 0 2.758 -2.983 -0.160 0.00 0.00 O+0 HETATM 60 C UNK 0 4.675 -1.703 0.202 0.00 0.00 C+0 HETATM 61 C UNK 0 5.729 -1.856 1.045 0.00 0.00 C+0 HETATM 62 C UNK 0 7.090 -1.557 0.611 0.00 0.00 C+0 HETATM 63 C UNK 0 7.884 -0.567 1.344 0.00 0.00 C+0 HETATM 64 O UNK 0 7.988 -1.080 2.692 0.00 0.00 O+0 HETATM 65 C UNK 0 7.398 0.834 1.501 0.00 0.00 C+0 HETATM 66 C UNK 0 6.136 0.906 2.265 0.00 0.00 C+0 HETATM 67 O UNK 0 6.363 0.340 3.533 0.00 0.00 O+0 HETATM 68 C UNK 0 5.678 2.343 2.453 0.00 0.00 C+0 HETATM 69 C UNK 0 4.508 2.585 3.001 0.00 0.00 C+0 HETATM 70 C UNK 0 3.995 4.001 3.218 0.00 0.00 C+0 HETATM 71 C UNK 0 2.700 4.156 2.447 0.00 0.00 C+0 HETATM 72 O UNK 0 2.950 3.930 1.070 0.00 0.00 O+0 HETATM 73 C UNK 0 2.057 5.493 2.543 0.00 0.00 C+0 HETATM 74 C UNK 0 1.675 5.977 3.890 0.00 0.00 C+0 HETATM 75 O UNK 0 2.749 6.112 4.778 0.00 0.00 O+0 HETATM 76 C UNK 0 0.520 5.276 4.552 0.00 0.00 C+0 HETATM 77 C UNK 0 -0.777 5.366 3.800 0.00 0.00 C+0 HETATM 78 C UNK 0 -1.902 4.657 4.541 0.00 0.00 C+0 HETATM 79 N UNK 0 -1.556 3.244 4.725 0.00 0.00 N+0 HETATM 80 C UNK 0 3.543 5.076 -5.338 0.00 0.00 C+0 HETATM 81 O UNK 0 4.599 5.436 -4.783 0.00 0.00 O+0 HETATM 82 O UNK 0 2.710 6.027 -5.905 0.00 0.00 O+0 HETATM 83 H UNK 0 1.010 3.704 -5.484 0.00 0.00 H+0 HETATM 84 H UNK 0 1.810 3.804 -7.058 0.00 0.00 H+0 HETATM 85 H UNK 0 1.770 2.244 -6.234 0.00 0.00 H+0 HETATM 86 H UNK 0 4.902 3.129 -4.380 0.00 0.00 H+0 HETATM 87 H UNK 0 2.771 0.928 -5.258 0.00 0.00 H+0 HETATM 88 H UNK 0 5.418 0.922 -3.803 0.00 0.00 H+0 HETATM 89 H UNK 0 3.429 -1.431 -4.575 0.00 0.00 H+0 HETATM 90 H UNK 0 6.097 -1.181 -3.147 0.00 0.00 H+0 HETATM 91 H UNK 0 5.131 -3.321 -2.282 0.00 0.00 H+0 HETATM 92 H UNK 0 6.086 -3.614 -3.773 0.00 0.00 H+0 HETATM 93 H UNK 0 4.011 -3.612 -5.098 0.00 0.00 H+0 HETATM 94 H UNK 0 3.052 -3.219 -3.639 0.00 0.00 H+0 HETATM 95 H UNK 0 4.726 -5.783 -4.166 0.00 0.00 H+0 HETATM 96 H UNK 0 2.094 -5.246 -2.728 0.00 0.00 H+0 HETATM 97 H UNK 0 2.029 -7.736 -3.462 0.00 0.00 H+0 HETATM 98 H UNK 0 4.097 -8.150 -4.450 0.00 0.00 H+0 HETATM 99 H UNK 0 4.211 -8.926 -2.827 0.00 0.00 H+0 HETATM 100 H UNK 0 5.043 -7.392 -3.027 0.00 0.00 H+0 HETATM 101 H UNK 0 2.700 -8.709 -1.297 0.00 0.00 H+0 HETATM 102 H UNK 0 4.366 -6.512 -1.341 0.00 0.00 H+0 HETATM 103 H UNK 0 1.451 -5.957 -0.836 0.00 0.00 H+0 HETATM 104 H UNK 0 2.555 -7.056 1.147 0.00 0.00 H+0 HETATM 105 H UNK 0 1.567 -8.541 0.740 0.00 0.00 H+0 HETATM 106 H UNK 0 0.749 -7.051 1.267 0.00 0.00 H+0 HETATM 107 H UNK 0 0.327 -7.741 -2.445 0.00 0.00 H+0 HETATM 108 H UNK 0 -0.754 -9.337 -1.083 0.00 0.00 H+0 HETATM 109 H UNK 0 -1.046 -5.923 -1.663 0.00 0.00 H+0 HETATM 110 H UNK 0 -1.761 -7.774 0.589 0.00 0.00 H+0 HETATM 111 H UNK 0 -2.863 -5.103 -0.757 0.00 0.00 H+0 HETATM 112 H UNK 0 -3.950 -6.634 1.589 0.00 0.00 H+0 HETATM 113 H UNK 0 -4.615 -4.040 -0.117 0.00 0.00 H+0 HETATM 114 H UNK 0 -6.050 -5.110 2.254 0.00 0.00 H+0 HETATM 115 H UNK 0 -6.251 -2.741 0.198 0.00 0.00 H+0 HETATM 116 H UNK 0 -7.992 -3.267 2.563 0.00 0.00 H+0 HETATM 117 H UNK 0 -7.685 -1.218 0.115 0.00 0.00 H+0 HETATM 118 H UNK 0 -9.628 -1.037 2.343 0.00 0.00 H+0 HETATM 119 H UNK 0 -8.853 0.473 -0.354 0.00 0.00 H+0 HETATM 120 H UNK 0 -10.872 1.331 1.654 0.00 0.00 H+0 HETATM 121 H UNK 0 -9.934 2.000 -1.275 0.00 0.00 H+0 HETATM 122 H UNK 0 -11.398 2.607 -0.525 0.00 0.00 H+0 HETATM 123 H UNK 0 -10.252 4.240 0.792 0.00 0.00 H+0 HETATM 124 H UNK 0 -7.132 4.716 3.629 0.00 0.00 H+0 HETATM 125 H UNK 0 -10.199 4.838 -1.711 0.00 0.00 H+0 HETATM 126 H UNK 0 -8.182 2.688 -1.497 0.00 0.00 H+0 HETATM 127 H UNK 0 -7.805 3.913 -2.699 0.00 0.00 H+0 HETATM 128 H UNK 0 -9.331 2.968 -2.862 0.00 0.00 H+0 HETATM 129 H UNK 0 -6.798 5.095 0.485 0.00 0.00 H+0 HETATM 130 H UNK 0 -6.862 3.977 -0.873 0.00 0.00 H+0 HETATM 131 H UNK 0 -5.645 6.804 -0.866 0.00 0.00 H+0 HETATM 132 H UNK 0 -5.405 4.787 -2.844 0.00 0.00 H+0 HETATM 133 H UNK 0 -4.721 4.819 0.429 0.00 0.00 H+0 HETATM 134 H UNK 0 -4.819 3.808 -1.038 0.00 0.00 H+0 HETATM 135 H UNK 0 -3.013 6.228 -0.728 0.00 0.00 H+0 HETATM 136 H UNK 0 -2.352 4.664 -2.821 0.00 0.00 H+0 HETATM 137 H UNK 0 -2.873 3.485 0.286 0.00 0.00 H+0 HETATM 138 H UNK 0 -0.553 4.696 -1.185 0.00 0.00 H+0 HETATM 139 H UNK 0 0.286 3.433 1.009 0.00 0.00 H+0 HETATM 140 H UNK 0 -1.139 2.388 0.829 0.00 0.00 H+0 HETATM 141 H UNK 0 1.185 2.505 -1.187 0.00 0.00 H+0 HETATM 142 H UNK 0 -0.006 0.689 -2.073 0.00 0.00 H+0 HETATM 143 H UNK 0 0.234 0.526 0.928 0.00 0.00 H+0 HETATM 144 H UNK 0 1.668 1.524 1.130 0.00 0.00 H+0 HETATM 145 H UNK 0 2.881 0.314 -0.700 0.00 0.00 H+0 HETATM 146 H UNK 0 1.935 -1.403 -1.705 0.00 0.00 H+0 HETATM 147 H UNK 0 1.505 -1.314 1.439 0.00 0.00 H+0 HETATM 148 H UNK 0 2.823 -0.193 1.760 0.00 0.00 H+0 HETATM 149 H UNK 0 3.449 -2.583 1.663 0.00 0.00 H+0 HETATM 150 H UNK 0 3.265 -3.822 -0.142 0.00 0.00 H+0 HETATM 151 H UNK 0 4.920 -1.354 -0.783 0.00 0.00 H+0 HETATM 152 H UNK 0 5.580 -2.198 2.059 0.00 0.00 H+0 HETATM 153 H UNK 0 7.141 -1.405 -0.514 0.00 0.00 H+0 HETATM 154 H UNK 0 7.654 -2.551 0.715 0.00 0.00 H+0 HETATM 155 H UNK 0 8.970 -0.584 1.015 0.00 0.00 H+0 HETATM 156 H UNK 0 8.207 -2.031 2.668 0.00 0.00 H+0 HETATM 157 H UNK 0 8.226 1.380 2.060 0.00 0.00 H+0 HETATM 158 H UNK 0 7.332 1.355 0.505 0.00 0.00 H+0 HETATM 159 H UNK 0 5.313 0.451 1.717 0.00 0.00 H+0 HETATM 160 H UNK 0 5.994 0.972 4.193 0.00 0.00 H+0 HETATM 161 H UNK 0 6.328 3.112 2.130 0.00 0.00 H+0 HETATM 162 H UNK 0 3.914 1.723 3.307 0.00 0.00 H+0 HETATM 163 H UNK 0 3.892 4.176 4.286 0.00 0.00 H+0 HETATM 164 H UNK 0 4.721 4.693 2.777 0.00 0.00 H+0 HETATM 165 H UNK 0 1.996 3.365 2.754 0.00 0.00 H+0 HETATM 166 H UNK 0 3.753 3.340 0.984 0.00 0.00 H+0 HETATM 167 H UNK 0 2.629 6.273 1.988 0.00 0.00 H+0 HETATM 168 H UNK 0 1.090 5.411 1.952 0.00 0.00 H+0 HETATM 169 H UNK 0 1.318 7.048 3.744 0.00 0.00 H+0 HETATM 170 H UNK 0 3.358 6.840 4.497 0.00 0.00 H+0 HETATM 171 H UNK 0 0.783 4.197 4.708 0.00 0.00 H+0 HETATM 172 H UNK 0 0.339 5.733 5.550 0.00 0.00 H+0 HETATM 173 H UNK 0 -1.063 6.445 3.733 0.00 0.00 H+0 HETATM 174 H UNK 0 -0.716 4.998 2.764 0.00 0.00 H+0 HETATM 175 H UNK 0 -2.812 4.684 3.917 0.00 0.00 H+0 HETATM 176 H UNK 0 -2.101 5.104 5.514 0.00 0.00 H+0 HETATM 177 H UNK 0 -0.961 3.155 5.591 0.00 0.00 H+0 HETATM 178 H UNK 0 -2.417 2.644 4.787 0.00 0.00 H+0 HETATM 179 H UNK 0 2.319 6.812 -5.429 0.00 0.00 H+0 CONECT 1 2 83 84 85 CONECT 2 1 3 80 CONECT 3 2 4 86 CONECT 4 3 5 87 CONECT 5 4 6 88 CONECT 6 5 7 89 CONECT 7 6 8 90 CONECT 8 7 9 91 92 CONECT 9 8 10 93 94 CONECT 10 9 11 95 CONECT 11 10 12 96 CONECT 12 11 13 14 97 CONECT 13 12 98 99 100 CONECT 14 12 15 16 101 CONECT 15 14 102 CONECT 16 14 17 18 103 CONECT 17 16 104 105 106 CONECT 18 16 19 20 107 CONECT 19 18 108 CONECT 20 18 21 109 CONECT 21 20 22 110 CONECT 22 21 23 111 CONECT 23 22 24 112 CONECT 24 23 25 113 CONECT 25 24 26 114 CONECT 26 25 27 115 CONECT 27 26 28 116 CONECT 28 27 29 117 CONECT 29 28 30 118 CONECT 30 29 31 119 CONECT 31 30 32 120 CONECT 32 31 33 121 122 CONECT 33 32 34 39 123 CONECT 34 33 35 CONECT 35 34 36 37 38 CONECT 36 35 CONECT 37 35 CONECT 38 35 124 CONECT 39 33 40 41 125 CONECT 40 39 126 127 128 CONECT 41 39 42 43 CONECT 42 41 CONECT 43 41 44 129 130 CONECT 44 43 45 46 131 CONECT 45 44 132 CONECT 46 44 47 133 134 CONECT 47 46 48 49 135 CONECT 48 47 136 CONECT 49 47 50 137 CONECT 50 49 51 138 CONECT 51 50 52 139 140 CONECT 52 51 53 54 141 CONECT 53 52 142 CONECT 54 52 55 143 144 CONECT 55 54 56 57 145 CONECT 56 55 146 CONECT 57 55 58 147 148 CONECT 58 57 59 60 149 CONECT 59 58 150 CONECT 60 58 61 151 CONECT 61 60 62 152 CONECT 62 61 63 153 154 CONECT 63 62 64 65 155 CONECT 64 63 156 CONECT 65 63 66 157 158 CONECT 66 65 67 68 159 CONECT 67 66 160 CONECT 68 66 69 161 CONECT 69 68 70 162 CONECT 70 69 71 163 164 CONECT 71 70 72 73 165 CONECT 72 71 166 CONECT 73 71 74 167 168 CONECT 74 73 75 76 169 CONECT 75 74 170 CONECT 76 74 77 171 172 CONECT 77 76 78 173 174 CONECT 78 77 79 175 176 CONECT 79 78 177 178 CONECT 80 2 81 82 CONECT 81 80 CONECT 82 80 179 CONECT 83 1 CONECT 84 1 CONECT 85 1 CONECT 86 3 CONECT 87 4 CONECT 88 5 CONECT 89 6 CONECT 90 7 CONECT 91 8 CONECT 92 8 CONECT 93 9 CONECT 94 9 CONECT 95 10 CONECT 96 11 CONECT 97 12 CONECT 98 13 CONECT 99 13 CONECT 100 13 CONECT 101 14 CONECT 102 15 CONECT 103 16 CONECT 104 17 CONECT 105 17 CONECT 106 17 CONECT 107 18 CONECT 108 19 CONECT 109 20 CONECT 110 21 CONECT 111 22 CONECT 112 23 CONECT 113 24 CONECT 114 25 CONECT 115 26 CONECT 116 27 CONECT 117 28 CONECT 118 29 CONECT 119 30 CONECT 120 31 CONECT 121 32 CONECT 122 32 CONECT 123 33 CONECT 124 38 CONECT 125 39 CONECT 126 40 CONECT 127 40 CONECT 128 40 CONECT 129 43 CONECT 130 43 CONECT 131 44 CONECT 132 45 CONECT 133 46 CONECT 134 46 CONECT 135 47 CONECT 136 48 CONECT 137 49 CONECT 138 50 CONECT 139 51 CONECT 140 51 CONECT 141 52 CONECT 142 53 CONECT 143 54 CONECT 144 54 CONECT 145 55 CONECT 146 56 CONECT 147 57 CONECT 148 57 CONECT 149 58 CONECT 150 59 CONECT 151 60 CONECT 152 61 CONECT 153 62 CONECT 154 62 CONECT 155 63 CONECT 156 64 CONECT 157 65 CONECT 158 65 CONECT 159 66 CONECT 160 67 CONECT 161 68 CONECT 162 69 CONECT 163 70 CONECT 164 70 CONECT 165 71 CONECT 166 72 CONECT 167 73 CONECT 168 73 CONECT 169 74 CONECT 170 75 CONECT 171 76 CONECT 172 76 CONECT 173 77 CONECT 174 77 CONECT 175 78 CONECT 176 78 CONECT 177 79 CONECT 178 79 CONECT 179 82 MASTER 0 0 0 0 0 0 0 0 179 0 356 0 END SMILES for NP0006921 (Mediomycin A)[H]OC(=O)C(=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])([H])[C@@]([H])(O[S](=O)(=O)O[H])[C@@]([H])(C(=O)C([H])([H])[C@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])[C@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])[C@]([H])(O[H])C([H])([H])[C@@]([H])(O[H])C(\[H])=C(/[H])C([H])([H])[C@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])[H])\C([H])([H])[H] INCHI for NP0006921 (Mediomycin A)InChI=1S/C62H97NO18S/c1-45(27-19-15-11-10-12-16-20-28-46(2)62(76)77)61(75)48(4)58(73)36-21-17-13-8-6-5-7-9-14-18-22-37-60(81-82(78,79)80)47(3)59(74)44-57(72)43-54(69)34-25-33-53(68)42-56(71)41-52(67)32-24-31-50(65)39-49(64)29-23-30-51(66)40-55(70)35-26-38-63/h5-10,12-14,16-25,27-29,32,34,36,45,47-58,60-61,64-73,75H,11,15,26,30-31,33,35,37-44,63H2,1-4H3,(H,76,77)(H,78,79,80)/b7-5+,8-6+,12-10+,14-9+,17-13+,20-16+,22-18+,27-19+,29-23+,32-24+,34-25+,36-21+,46-28+/t45-,47-,48-,49+,50+,51+,52+,53+,54-,55-,56-,57-,58+,60-,61-/m1/s1 3D Structure for NP0006921 (Mediomycin A) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C62H97NO18S | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1176.5100 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1175.64264 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2E,4E,6E,10E,12R,13R,14R,15S,16E,18E,20E,22E,24E,26E,29R,30S,33R,35S,36E,39S,41S,43R,44E,47S,49R,50E,53S,55R)-58-amino-13,15,33,35,39,41,43,47,49,53,55-undecahydroxy-2,12,14,30-tetramethyl-31-oxo-29-(sulfooxy)octapentaconta-2,4,6,10,16,18,20,22,24,26,36,44,50-tridecaenoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2E,4E,6E,10E,12R,13R,14R,15S,16E,18E,20E,22E,24E,26E,29R,30S,33R,35S,36E,39S,41S,43R,44E,47S,49R,50E,53S,55R)-58-amino-13,15,33,35,39,41,43,47,49,53,55-undecahydroxy-2,12,14,30-tetramethyl-31-oxo-29-(sulfooxy)octapentaconta-2,4,6,10,16,18,20,22,24,26,36,44,50-tridecaenoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC(\C=C\CC\C=C\C=C\C=C(/C)C(O)=O)[C@@H](O)[C@H](C)[C@@H](O)\C=C\C=C\C=C\C=C\C=C\C=C\CC(OS(O)(=O)=O)C(C)C(=O)C[C@H](O)C[C@H](O)\C=C\C[C@H](O)C[C@H](O)C[C@@H](O)\C=C\C[C@H](O)C[C@@H](O)\C=C\C[C@H](O)C[C@H](O)CCCN | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C62H97NO18S/c1-45(27-19-15-11-10-12-16-20-28-46(2)62(76)77)61(75)48(4)58(73)36-21-17-13-8-6-5-7-9-14-18-22-37-60(81-82(78,79)80)47(3)59(74)44-57(72)43-54(69)34-25-33-53(68)42-56(71)41-52(67)32-24-31-50(65)39-49(64)29-23-30-51(66)40-55(70)35-26-38-63/h5-10,12-14,16-25,27-29,32,34,36,45,47-58,60-61,64-73,75H,11,15,26,30-31,33,35,37-44,63H2,1-4H3,(H,76,77)(H,78,79,80)/b7-5+,8-6+,12-10+,14-9+,17-13+,20-16+,22-18+,27-19+,29-23+,32-24+,34-25+,36-21+,46-28+/t45?,47?,48-,49+,50+,51+,52+,53+,54-,55-,56-,57-,58+,60?,61-/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | RDEZRSOXSQHNOU-XTQYLRKSSA-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 | NPA001352 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78445027 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 139583464 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
