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Showing NP-Card for Svetamycin F (NP0016554)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 01:30:10 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:23:02 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0016554 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Svetamycin F | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Svetamycin F is found in Streptomyces sp. It was first documented in 2017 (PMID: 28489377). Based on a literature review very few articles have been published on Svetamycin F. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0016554 (Svetamycin F)Mrv1652307042107223D 78 81 0 0 0 0 999 V2000 2.7202 3.7494 -0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6218 2.6699 -0.4966 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0085 2.0687 -1.7747 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7631 0.8870 -1.9186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 0.8877 -2.8635 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6824 -0.3369 -1.0937 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8544 -0.4766 -0.1210 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7526 0.3046 0.9944 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1579 -0.3881 -0.8339 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5628 0.9118 -1.1295 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0991 -1.2545 -2.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0165 -1.7699 -2.5097 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 -1.5403 -1.8946 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7103 -2.4597 -2.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 -3.4196 -2.9362 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4184 -2.3500 -1.3571 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6266 -2.3143 0.0023 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1126 -2.0868 1.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0907 -1.0767 1.8237 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2006 -2.9547 1.5340 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6713 -3.4588 2.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3861 -4.2278 0.7679 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1323 -4.8395 0.5167 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4623 -2.3482 1.7960 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0475 -1.1461 1.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3085 -0.3078 2.2967 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4098 -0.6948 0.0253 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4825 -1.8862 -0.9587 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2238 -1.4057 -2.1879 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2352 -0.3656 -2.7550 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2851 0.7210 -1.8655 N 0 0 2 0 0 0 0 0 0 0 0 0 -2.7331 0.4360 -0.5461 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6886 1.2623 -0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5851 0.9320 -0.6854 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5349 2.3439 0.8362 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7905 2.1194 2.1383 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5735 3.4282 2.8572 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1473 3.3177 4.7083 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.2004 4.6227 2.2500 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1820 4.7285 0.8100 N 0 0 1 0 0 0 0 0 0 0 0 0 -0.7313 3.4667 0.2925 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3401 3.4002 -0.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2022 4.0948 -1.6634 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6915 4.0527 0.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 4.6356 -0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6911 3.3907 -0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6966 1.9296 0.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6599 2.6183 -2.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7844 -0.3390 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7816 -1.5458 0.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0076 -0.1721 1.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9689 -0.7770 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6376 1.3885 -0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0334 -1.4792 -2.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1905 -1.4920 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1977 -3.2391 -1.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3781 -3.7870 2.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 -4.2842 3.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6425 -2.6100 3.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9063 -4.9757 1.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 -4.1740 -0.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2418 -5.8014 0.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0528 -2.9685 2.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5109 -0.3652 0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0202 -2.6786 -0.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4654 -2.1497 -1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3185 -2.2639 -2.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1887 -0.9508 -1.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2433 -0.8218 -2.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5785 -0.0148 -3.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2974 0.9408 -1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5138 2.7795 1.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1497 1.5590 2.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 1.5281 2.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5249 3.5740 2.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7138 5.5464 2.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2754 4.7238 2.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0922 4.9785 0.3910 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 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 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 1 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 20 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 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 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 42 2 1 0 0 0 0 13 6 1 0 0 0 0 32 27 1 0 0 0 0 41 35 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 2 47 1 1 0 0 0 3 48 1 0 0 0 0 6 49 1 1 0 0 0 7 50 1 1 0 0 0 8 51 1 0 0 0 0 9 52 1 1 0 0 0 10 53 1 0 0 0 0 11 54 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 62 1 0 0 0 0 24 63 1 0 0 0 0 27 64 1 1 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 71 1 0 0 0 0 35 72 1 1 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 37 75 1 1 0 0 0 39 76 1 0 0 0 0 39 77 1 0 0 0 0 40 78 1 0 0 0 0 M END 3D MOL for NP0016554 (Svetamycin F)RDKit 3D 78 81 0 0 0 0 0 0 0 0999 V2000 2.7202 3.7494 -0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6218 2.6699 -0.4966 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0085 2.0687 -1.7747 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7631 0.8870 -1.9186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 0.8877 -2.8635 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6824 -0.3369 -1.0937 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8544 -0.4766 -0.1210 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7526 0.3046 0.9944 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1579 -0.3881 -0.8339 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5628 0.9118 -1.1295 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0991 -1.2545 -2.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0165 -1.7699 -2.5097 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 -1.5403 -1.8946 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7103 -2.4597 -2.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 -3.4196 -2.9362 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4184 -2.3500 -1.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6266 -2.3143 0.0023 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1126 -2.0868 1.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0907 -1.0767 1.8237 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2006 -2.9547 1.5340 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6713 -3.4588 2.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3861 -4.2278 0.7679 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1323 -4.8395 0.5167 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4623 -2.3482 1.7960 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0475 -1.1461 1.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3085 -0.3078 2.2967 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4098 -0.6948 0.0253 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4825 -1.8862 -0.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2238 -1.4057 -2.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2352 -0.3656 -2.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2851 0.7210 -1.8655 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7331 0.4360 -0.5461 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6886 1.2623 -0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5851 0.9320 -0.6854 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5349 2.3439 0.8362 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7905 2.1194 2.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5735 3.4282 2.8572 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1473 3.3177 4.7083 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.2004 4.6227 2.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 4.7285 0.8100 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7313 3.4667 0.2925 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3401 3.4002 -0.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2022 4.0948 -1.6634 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6915 4.0527 0.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 4.6356 -0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6911 3.3907 -0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6966 1.9296 0.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6599 2.6183 -2.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7844 -0.3390 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7816 -1.5458 0.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0076 -0.1721 1.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9689 -0.7770 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6376 1.3885 -0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0334 -1.4792 -2.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1905 -1.4920 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1977 -3.2391 -1.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3781 -3.7870 2.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 -4.2842 3.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6425 -2.6100 3.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9063 -4.9757 1.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 -4.1740 -0.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2418 -5.8014 0.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0528 -2.9685 2.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5109 -0.3652 0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0202 -2.6786 -0.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4654 -2.1497 -1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3185 -2.2639 -2.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1887 -0.9508 -1.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2433 -0.8218 -2.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5785 -0.0148 -3.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2974 0.9408 -1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5138 2.7795 1.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1497 1.5590 2.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 1.5281 2.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5249 3.5740 2.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7138 5.5464 2.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2754 4.7238 2.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0922 4.9785 0.3910 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 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 1 20 22 1 0 22 23 1 0 20 24 1 0 24 25 1 0 25 26 2 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 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 2 1 0 13 6 1 0 32 27 1 0 41 35 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 1 3 48 1 0 6 49 1 1 7 50 1 1 8 51 1 0 9 52 1 1 10 53 1 0 11 54 1 0 16 55 1 0 16 56 1 0 21 57 1 0 21 58 1 0 21 59 1 0 22 60 1 0 22 61 1 0 23 62 1 0 24 63 1 0 27 64 1 1 28 65 1 0 28 66 1 0 29 67 1 0 29 68 1 0 30 69 1 0 30 70 1 0 31 71 1 0 35 72 1 1 36 73 1 0 36 74 1 0 37 75 1 1 39 76 1 0 39 77 1 0 40 78 1 0 M END 3D SDF for NP0016554 (Svetamycin F)Mrv1652307042107223D 78 81 0 0 0 0 999 V2000 2.7202 3.7494 -0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6218 2.6699 -0.4966 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0085 2.0687 -1.7747 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7631 0.8870 -1.9186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 0.8877 -2.8635 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6824 -0.3369 -1.0937 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8544 -0.4766 -0.1210 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7526 0.3046 0.9944 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1579 -0.3881 -0.8339 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5628 0.9118 -1.1295 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0991 -1.2545 -2.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0165 -1.7699 -2.5097 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 -1.5403 -1.8946 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7103 -2.4597 -2.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 -3.4196 -2.9362 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4184 -2.3500 -1.3571 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6266 -2.3143 0.0023 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1126 -2.0868 1.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0907 -1.0767 1.8237 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2006 -2.9547 1.5340 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6713 -3.4588 2.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3861 -4.2278 0.7679 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1323 -4.8395 0.5167 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4623 -2.3482 1.7960 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0475 -1.1461 1.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3085 -0.3078 2.2967 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4098 -0.6948 0.0253 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4825 -1.8862 -0.9587 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2238 -1.4057 -2.1879 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2352 -0.3656 -2.7550 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2851 0.7210 -1.8655 N 0 0 2 0 0 0 0 0 0 0 0 0 -2.7331 0.4360 -0.5461 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6886 1.2623 -0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5851 0.9320 -0.6854 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5349 2.3439 0.8362 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7905 2.1194 2.1383 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5735 3.4282 2.8572 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1473 3.3177 4.7083 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.2004 4.6227 2.2500 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1820 4.7285 0.8100 N 0 0 1 0 0 0 0 0 0 0 0 0 -0.7313 3.4667 0.2925 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3401 3.4002 -0.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2022 4.0948 -1.6634 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6915 4.0527 0.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 4.6356 -0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6911 3.3907 -0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6966 1.9296 0.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6599 2.6183 -2.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7844 -0.3390 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7816 -1.5458 0.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0076 -0.1721 1.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9689 -0.7770 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6376 1.3885 -0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0334 -1.4792 -2.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1905 -1.4920 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1977 -3.2391 -1.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3781 -3.7870 2.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 -4.2842 3.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6425 -2.6100 3.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9063 -4.9757 1.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 -4.1740 -0.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2418 -5.8014 0.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0528 -2.9685 2.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5109 -0.3652 0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0202 -2.6786 -0.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4654 -2.1497 -1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3185 -2.2639 -2.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1887 -0.9508 -1.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2433 -0.8218 -2.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5785 -0.0148 -3.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2974 0.9408 -1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5138 2.7795 1.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1497 1.5590 2.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 1.5281 2.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5249 3.5740 2.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7138 5.5464 2.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2754 4.7238 2.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0922 4.9785 0.3910 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 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 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 1 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 20 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 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 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 42 2 1 0 0 0 0 13 6 1 0 0 0 0 32 27 1 0 0 0 0 41 35 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 2 47 1 1 0 0 0 3 48 1 0 0 0 0 6 49 1 1 0 0 0 7 50 1 1 0 0 0 8 51 1 0 0 0 0 9 52 1 1 0 0 0 10 53 1 0 0 0 0 11 54 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 23 62 1 0 0 0 0 24 63 1 0 0 0 0 27 64 1 1 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 71 1 0 0 0 0 35 72 1 1 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 37 75 1 1 0 0 0 39 76 1 0 0 0 0 39 77 1 0 0 0 0 40 78 1 0 0 0 0 M END > <DATABASE_ID> NP0016554 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC([H])([H])[C@@]1(N([H])C(=O)[C@@]2([H])N(N([H])C([H])([H])C([H])([H])C2([H])[H])C(=O)[C@]2([H])N(N([H])C([H])([H])[C@@]([H])(Br)C2([H])[H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]2([H])N(N=C([H])[C@@]([H])(O[H])[C@@]2([H])O[H])C(=O)C([H])([H])OC1=O)C([H])([H])[H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C24H35BrN8O10/c1-11-21(40)32-14(6-12(25)7-27-32)22(41)31-13(4-3-5-26-31)19(38)30-24(2,10-34)23(42)43-9-16(36)33-17(20(39)29-11)18(37)15(35)8-28-33/h8,11-15,17-18,26-27,34-35,37H,3-7,9-10H2,1-2H3,(H,29,39)(H,30,38)/t11-,12-,13-,14+,15+,17-,18+,24-/m0/s1 > <INCHI_KEY> RRYAXJUCQNEXSG-WECLKIJSSA-N > <FORMULA> C24H35BrN8O10 > <MOLECULAR_WEIGHT> 675.494 > <EXACT_MASS> 674.165952 > <JCHEM_ACCEPTOR_COUNT> 12 > <JCHEM_ATOM_COUNT> 78 > <JCHEM_AVERAGE_POLARIZABILITY> 59.79303878590049 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 7 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (3R,5S,10S,13S,14S,15R,23S,26S)-5-bromo-14,15-dihydroxy-23-(hydroxymethyl)-10,23-dimethyl-21-oxa-1,7,8,11,17,18,24,30-octaazatetracyclo[24.4.0.0^{3,8}.0^{13,18}]triacont-16-ene-2,9,12,19,22,25-hexone > <ALOGPS_LOGP> -1.17 > <JCHEM_LOGP> -5.020513520333331 > <ALOGPS_LOGS> -2.57 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 4 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 10.865685362868312 > <JCHEM_PKA_STRONGEST_ACIDIC> 10.196722008790546 > <JCHEM_PKA_STRONGEST_BASIC> 4.210605000302915 > <JCHEM_POLAR_SURFACE_AREA> 242.54 > <JCHEM_REFRACTIVITY> 167.02589999999998 > <JCHEM_ROTATABLE_BOND_COUNT> 1 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 1.83e+00 g/l > <JCHEM_TRADITIONAL_IUPAC> (3R,5S,10S,13S,14S,15R,23S,26S)-5-bromo-14,15-dihydroxy-23-(hydroxymethyl)-10,23-dimethyl-21-oxa-1,7,8,11,17,18,24,30-octaazatetracyclo[24.4.0.0^{3,8}.0^{13,18}]triacont-16-ene-2,9,12,19,22,25-hexone > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0016554 (Svetamycin F)RDKit 3D 78 81 0 0 0 0 0 0 0 0999 V2000 2.7202 3.7494 -0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6218 2.6699 -0.4966 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0085 2.0687 -1.7747 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7631 0.8870 -1.9186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 0.8877 -2.8635 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6824 -0.3369 -1.0937 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8544 -0.4766 -0.1210 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7526 0.3046 0.9944 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1579 -0.3881 -0.8339 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5628 0.9118 -1.1295 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0991 -1.2545 -2.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0165 -1.7699 -2.5097 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 -1.5403 -1.8946 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7103 -2.4597 -2.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 -3.4196 -2.9362 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4184 -2.3500 -1.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6266 -2.3143 0.0023 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1126 -2.0868 1.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0907 -1.0767 1.8237 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2006 -2.9547 1.5340 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6713 -3.4588 2.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3861 -4.2278 0.7679 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1323 -4.8395 0.5167 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4623 -2.3482 1.7960 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0475 -1.1461 1.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3085 -0.3078 2.2967 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4098 -0.6948 0.0253 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4825 -1.8862 -0.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2238 -1.4057 -2.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2352 -0.3656 -2.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2851 0.7210 -1.8655 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7331 0.4360 -0.5461 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6886 1.2623 -0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5851 0.9320 -0.6854 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5349 2.3439 0.8362 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7905 2.1194 2.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5735 3.4282 2.8572 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1473 3.3177 4.7083 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.2004 4.6227 2.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 4.7285 0.8100 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7313 3.4667 0.2925 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3401 3.4002 -0.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2022 4.0948 -1.6634 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6915 4.0527 0.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 4.6356 -0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6911 3.3907 -0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6966 1.9296 0.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6599 2.6183 -2.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7844 -0.3390 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7816 -1.5458 0.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0076 -0.1721 1.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9689 -0.7770 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6376 1.3885 -0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0334 -1.4792 -2.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1905 -1.4920 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1977 -3.2391 -1.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3781 -3.7870 2.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 -4.2842 3.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6425 -2.6100 3.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9063 -4.9757 1.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 -4.1740 -0.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2418 -5.8014 0.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0528 -2.9685 2.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5109 -0.3652 0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0202 -2.6786 -0.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4654 -2.1497 -1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3185 -2.2639 -2.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1887 -0.9508 -1.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2433 -0.8218 -2.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5785 -0.0148 -3.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2974 0.9408 -1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5138 2.7795 1.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1497 1.5590 2.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 1.5281 2.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5249 3.5740 2.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7138 5.5464 2.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2754 4.7238 2.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0922 4.9785 0.3910 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 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 1 20 22 1 0 22 23 1 0 20 24 1 0 24 25 1 0 25 26 2 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 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 2 1 0 13 6 1 0 32 27 1 0 41 35 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 1 3 48 1 0 6 49 1 1 7 50 1 1 8 51 1 0 9 52 1 1 10 53 1 0 11 54 1 0 16 55 1 0 16 56 1 0 21 57 1 0 21 58 1 0 21 59 1 0 22 60 1 0 22 61 1 0 23 62 1 0 24 63 1 0 27 64 1 1 28 65 1 0 28 66 1 0 29 67 1 0 29 68 1 0 30 69 1 0 30 70 1 0 31 71 1 0 35 72 1 1 36 73 1 0 36 74 1 0 37 75 1 1 39 76 1 0 39 77 1 0 40 78 1 0 M END PDB for NP0016554 (Svetamycin F)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 2.720 3.749 -0.288 0.00 0.00 C+0 HETATM 2 C UNK 0 1.622 2.670 -0.497 0.00 0.00 C+0 HETATM 3 N UNK 0 2.009 2.069 -1.775 0.00 0.00 N+0 HETATM 4 C UNK 0 2.763 0.887 -1.919 0.00 0.00 C+0 HETATM 5 O UNK 0 3.598 0.888 -2.864 0.00 0.00 O+0 HETATM 6 C UNK 0 2.682 -0.337 -1.094 0.00 0.00 C+0 HETATM 7 C UNK 0 3.854 -0.477 -0.121 0.00 0.00 C+0 HETATM 8 O UNK 0 3.753 0.305 0.994 0.00 0.00 O+0 HETATM 9 C UNK 0 5.158 -0.388 -0.834 0.00 0.00 C+0 HETATM 10 O UNK 0 5.563 0.912 -1.129 0.00 0.00 O+0 HETATM 11 C UNK 0 5.099 -1.254 -2.037 0.00 0.00 C+0 HETATM 12 N UNK 0 4.016 -1.770 -2.510 0.00 0.00 N+0 HETATM 13 N UNK 0 2.757 -1.540 -1.895 0.00 0.00 N+0 HETATM 14 C UNK 0 1.710 -2.460 -2.092 0.00 0.00 C+0 HETATM 15 O UNK 0 1.889 -3.420 -2.936 0.00 0.00 O+0 HETATM 16 C UNK 0 0.418 -2.350 -1.357 0.00 0.00 C+0 HETATM 17 O UNK 0 0.627 -2.314 0.002 0.00 0.00 O+0 HETATM 18 C UNK 0 -0.113 -2.087 1.089 0.00 0.00 C+0 HETATM 19 O UNK 0 0.091 -1.077 1.824 0.00 0.00 O+0 HETATM 20 C UNK 0 -1.201 -2.955 1.534 0.00 0.00 C+0 HETATM 21 C UNK 0 -0.671 -3.459 2.927 0.00 0.00 C+0 HETATM 22 C UNK 0 -1.386 -4.228 0.768 0.00 0.00 C+0 HETATM 23 O UNK 0 -0.132 -4.840 0.517 0.00 0.00 O+0 HETATM 24 N UNK 0 -2.462 -2.348 1.796 0.00 0.00 N+0 HETATM 25 C UNK 0 -3.047 -1.146 1.356 0.00 0.00 C+0 HETATM 26 O UNK 0 -3.309 -0.308 2.297 0.00 0.00 O+0 HETATM 27 C UNK 0 -3.410 -0.695 0.025 0.00 0.00 C+0 HETATM 28 C UNK 0 -3.482 -1.886 -0.959 0.00 0.00 C+0 HETATM 29 C UNK 0 -4.224 -1.406 -2.188 0.00 0.00 C+0 HETATM 30 C UNK 0 -3.235 -0.366 -2.755 0.00 0.00 C+0 HETATM 31 N UNK 0 -3.285 0.721 -1.865 0.00 0.00 N+0 HETATM 32 N UNK 0 -2.733 0.436 -0.546 0.00 0.00 N+0 HETATM 33 C UNK 0 -1.689 1.262 -0.087 0.00 0.00 C+0 HETATM 34 O UNK 0 -0.585 0.932 -0.685 0.00 0.00 O+0 HETATM 35 C UNK 0 -1.535 2.344 0.836 0.00 0.00 C+0 HETATM 36 C UNK 0 -0.791 2.119 2.138 0.00 0.00 C+0 HETATM 37 C UNK 0 -0.574 3.428 2.857 0.00 0.00 C+0 HETATM 38 Br UNK 0 -1.147 3.318 4.708 0.00 0.00 Br+0 HETATM 39 C UNK 0 -1.200 4.623 2.250 0.00 0.00 C+0 HETATM 40 N UNK 0 -1.182 4.729 0.810 0.00 0.00 N+0 HETATM 41 N UNK 0 -0.731 3.467 0.293 0.00 0.00 N+0 HETATM 42 C UNK 0 0.340 3.400 -0.585 0.00 0.00 C+0 HETATM 43 O UNK 0 0.202 4.095 -1.663 0.00 0.00 O+0 HETATM 44 H UNK 0 2.692 4.053 0.775 0.00 0.00 H+0 HETATM 45 H UNK 0 2.451 4.636 -0.899 0.00 0.00 H+0 HETATM 46 H UNK 0 3.691 3.391 -0.622 0.00 0.00 H+0 HETATM 47 H UNK 0 1.697 1.930 0.292 0.00 0.00 H+0 HETATM 48 H UNK 0 1.660 2.618 -2.623 0.00 0.00 H+0 HETATM 49 H UNK 0 1.784 -0.339 -0.430 0.00 0.00 H+0 HETATM 50 H UNK 0 3.782 -1.546 0.248 0.00 0.00 H+0 HETATM 51 H UNK 0 4.008 -0.172 1.840 0.00 0.00 H+0 HETATM 52 H UNK 0 5.969 -0.777 -0.144 0.00 0.00 H+0 HETATM 53 H UNK 0 5.638 1.389 -0.273 0.00 0.00 H+0 HETATM 54 H UNK 0 6.033 -1.479 -2.570 0.00 0.00 H+0 HETATM 55 H UNK 0 -0.191 -1.492 -1.776 0.00 0.00 H+0 HETATM 56 H UNK 0 -0.198 -3.239 -1.689 0.00 0.00 H+0 HETATM 57 H UNK 0 0.378 -3.787 2.754 0.00 0.00 H+0 HETATM 58 H UNK 0 -1.314 -4.284 3.272 0.00 0.00 H+0 HETATM 59 H UNK 0 -0.643 -2.610 3.612 0.00 0.00 H+0 HETATM 60 H UNK 0 -1.906 -4.976 1.440 0.00 0.00 H+0 HETATM 61 H UNK 0 -1.994 -4.174 -0.132 0.00 0.00 H+0 HETATM 62 H UNK 0 -0.242 -5.801 0.317 0.00 0.00 H+0 HETATM 63 H UNK 0 -3.053 -2.969 2.479 0.00 0.00 H+0 HETATM 64 H UNK 0 -4.511 -0.365 0.020 0.00 0.00 H+0 HETATM 65 H UNK 0 -4.020 -2.679 -0.445 0.00 0.00 H+0 HETATM 66 H UNK 0 -2.465 -2.150 -1.311 0.00 0.00 H+0 HETATM 67 H UNK 0 -4.319 -2.264 -2.875 0.00 0.00 H+0 HETATM 68 H UNK 0 -5.189 -0.951 -1.948 0.00 0.00 H+0 HETATM 69 H UNK 0 -2.243 -0.822 -2.782 0.00 0.00 H+0 HETATM 70 H UNK 0 -3.579 -0.015 -3.742 0.00 0.00 H+0 HETATM 71 H UNK 0 -4.297 0.941 -1.637 0.00 0.00 H+0 HETATM 72 H UNK 0 -2.514 2.780 1.225 0.00 0.00 H+0 HETATM 73 H UNK 0 0.150 1.559 2.016 0.00 0.00 H+0 HETATM 74 H UNK 0 -1.446 1.528 2.793 0.00 0.00 H+0 HETATM 75 H UNK 0 0.525 3.574 2.908 0.00 0.00 H+0 HETATM 76 H UNK 0 -0.714 5.546 2.631 0.00 0.00 H+0 HETATM 77 H UNK 0 -2.275 4.724 2.539 0.00 0.00 H+0 HETATM 78 H UNK 0 -2.092 4.979 0.391 0.00 0.00 H+0 CONECT 1 2 44 45 46 CONECT 2 1 3 42 47 CONECT 3 2 4 48 CONECT 4 3 5 6 CONECT 5 4 CONECT 6 4 7 13 49 CONECT 7 6 8 9 50 CONECT 8 7 51 CONECT 9 7 10 11 52 CONECT 10 9 53 CONECT 11 9 12 54 CONECT 12 11 13 CONECT 13 12 14 6 CONECT 14 13 15 16 CONECT 15 14 CONECT 16 14 17 55 56 CONECT 17 16 18 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 22 24 CONECT 21 20 57 58 59 CONECT 22 20 23 60 61 CONECT 23 22 62 CONECT 24 20 25 63 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 32 64 CONECT 28 27 29 65 66 CONECT 29 28 30 67 68 CONECT 30 29 31 69 70 CONECT 31 30 32 71 CONECT 32 31 33 27 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 36 41 72 CONECT 36 35 37 73 74 CONECT 37 36 38 39 75 CONECT 38 37 CONECT 39 37 40 76 77 CONECT 40 39 41 78 CONECT 41 40 42 35 CONECT 42 41 43 2 CONECT 43 42 CONECT 44 1 CONECT 45 1 CONECT 46 1 CONECT 47 2 CONECT 48 3 CONECT 49 6 CONECT 50 7 CONECT 51 8 CONECT 52 9 CONECT 53 10 CONECT 54 11 CONECT 55 16 CONECT 56 16 CONECT 57 21 CONECT 58 21 CONECT 59 21 CONECT 60 22 CONECT 61 22 CONECT 62 23 CONECT 63 24 CONECT 64 27 CONECT 65 28 CONECT 66 28 CONECT 67 29 CONECT 68 29 CONECT 69 30 CONECT 70 30 CONECT 71 31 CONECT 72 35 CONECT 73 36 CONECT 74 36 CONECT 75 37 CONECT 76 39 CONECT 77 39 CONECT 78 40 MASTER 0 0 0 0 0 0 0 0 78 0 162 0 END SMILES for NP0016554 (Svetamycin F)[H]OC([H])([H])[C@@]1(N([H])C(=O)[C@@]2([H])N(N([H])C([H])([H])C([H])([H])C2([H])[H])C(=O)[C@]2([H])N(N([H])C([H])([H])[C@@]([H])(Br)C2([H])[H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]2([H])N(N=C([H])[C@@]([H])(O[H])[C@@]2([H])O[H])C(=O)C([H])([H])OC1=O)C([H])([H])[H])C([H])([H])[H] INCHI for NP0016554 (Svetamycin F)InChI=1S/C24H35BrN8O10/c1-11-21(40)32-14(6-12(25)7-27-32)22(41)31-13(4-3-5-26-31)19(38)30-24(2,10-34)23(42)43-9-16(36)33-17(20(39)29-11)18(37)15(35)8-28-33/h8,11-15,17-18,26-27,34-35,37H,3-7,9-10H2,1-2H3,(H,29,39)(H,30,38)/t11-,12-,13-,14+,15+,17-,18+,24-/m0/s1 3D Structure for NP0016554 (Svetamycin F) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C24H35BrN8O10 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 675.4940 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 674.16595 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (3R,5S,10S,13S,14S,15R,23S,26S)-5-bromo-14,15-dihydroxy-23-(hydroxymethyl)-10,23-dimethyl-21-oxa-1,7,8,11,17,18,24,30-octaazatetracyclo[24.4.0.0^{3,8}.0^{13,18}]triacont-16-ene-2,9,12,19,22,25-hexone | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (3R,5S,10S,13S,14S,15R,23S,26S)-5-bromo-14,15-dihydroxy-23-(hydroxymethyl)-10,23-dimethyl-21-oxa-1,7,8,11,17,18,24,30-octaazatetracyclo[24.4.0.0^{3,8}.0^{13,18}]triacont-16-ene-2,9,12,19,22,25-hexone | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | C[C@@H]1NC(=O)[C@@H]2[C@H](O)[C@H](O)C=NN2C(=O)COC(=O)[C@](C)(CO)NC(=O)[C@@H]2CCCNN2C(=O)[C@H]2C[C@H](Br)CNN2C1=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C24H35BrN8O10/c1-11-21(40)32-14(6-12(25)7-27-32)22(41)31-13(4-3-5-26-31)19(38)30-24(2,10-34)23(42)43-9-16(36)33-17(20(39)29-11)18(37)15(35)8-28-33/h8,11-15,17-18,26-27,34-35,37H,3-7,9-10H2,1-2H3,(H,29,39)(H,30,38)/t11-,12-,13-,14+,15+,17-,18+,24-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | RRYAXJUCQNEXSG-WECLKIJSSA-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 | NPA024241 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 78439464 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 139591397 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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