Showing NP-Card for Salinipostin F (NP0013685)
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Version | 2.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-05 22:58:48 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:15:11 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0013685 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Salinipostin F | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Salinipostin F is found in Salinispora sp. Based on a literature review very few articles have been published on (3R,8aS)-3-(pentadecyloxy)-5-propyl-1H,3H,6H,8H,8aH-3λ⁵-furo[3,4-e][1,3,2]dioxaphosphepine-3,6-dione. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0013685 (Salinipostin F)Mrv1652306242119493D 74 75 0 0 0 0 999 V2000 5.8636 -1.4717 3.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2422 -0.1842 2.5021 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7092 -0.3293 1.0707 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6200 -0.9386 0.1983 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1674 -1.0434 -1.1919 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1944 -1.6330 -2.1725 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9228 -0.7934 -2.2727 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2333 0.5827 -2.7191 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1217 1.5452 -2.8804 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3186 1.9776 -1.7372 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5410 1.0157 -0.9323 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5420 0.2076 -1.6899 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4653 1.0521 -2.3628 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3228 1.9221 -1.5174 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1604 1.1627 -0.5533 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4281 0.4441 0.3362 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3351 -0.4261 1.4408 P 0 0 2 0 0 5 0 0 0 0 0 0 -1.6132 -0.6297 2.7513 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7021 -1.9329 0.7133 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6085 -2.6189 1.4756 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0260 -2.5287 1.1159 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4315 -3.0801 -0.2219 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7695 -2.5630 -0.3559 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9147 -1.4216 0.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9304 -0.7427 0.6579 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5745 -1.1297 0.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0835 0.0611 1.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9911 1.1730 0.9149 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4070 1.9381 2.1692 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.3370 3.0537 1.7179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8194 0.3610 1.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0755 -2.3383 2.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4775 -1.6243 4.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -1.4911 3.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0343 0.3060 3.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3603 0.5090 2.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6370 -0.9375 1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9850 0.6818 0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7479 -0.2627 0.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3067 -1.9220 0.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5775 -0.0932 -1.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0325 -1.7585 -1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6666 -1.6047 -3.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9252 -2.6617 -1.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 -1.2823 -3.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2897 -0.9328 -1.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6928 0.4721 -3.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9983 1.0858 -2.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6102 2.4950 -3.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 1.2295 -3.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6433 2.8578 -2.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0218 2.5036 -0.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1072 0.4370 -0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8955 1.6830 -0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0627 -0.5102 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0601 -0.4840 -2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0453 1.7358 -3.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1642 0.4522 -3.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9642 2.6069 -2.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6745 2.6210 -0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7717 0.4108 -1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9461 1.8002 -0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3455 -3.6972 1.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5026 -2.2040 2.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6306 -3.0875 1.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8070 -2.6139 -0.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4282 -4.1847 -0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3340 1.9606 0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7675 1.0157 0.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8566 1.2972 2.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5219 2.4273 2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4537 3.8406 2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3538 2.6812 1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9337 3.5513 0.8123 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 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 17 16 1 6 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 2 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 27 31 1 0 0 0 0 31 17 1 0 0 0 0 26 21 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 9 49 1 0 0 0 0 9 50 1 0 0 0 0 10 51 1 0 0 0 0 10 52 1 0 0 0 0 11 53 1 0 0 0 0 11 54 1 0 0 0 0 12 55 1 0 0 0 0 12 56 1 0 0 0 0 13 57 1 0 0 0 0 13 58 1 0 0 0 0 14 59 1 0 0 0 0 14 60 1 0 0 0 0 15 61 1 0 0 0 0 15 62 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 21 65 1 1 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 30 74 1 0 0 0 0 M END 3D MOL for NP0013685 (Salinipostin F)RDKit 3D 74 75 0 0 0 0 0 0 0 0999 V2000 5.8636 -1.4717 3.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2422 -0.1842 2.5021 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7092 -0.3293 1.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -0.9386 0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1674 -1.0434 -1.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1944 -1.6330 -2.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9228 -0.7934 -2.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2333 0.5827 -2.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1217 1.5452 -2.8804 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3186 1.9776 -1.7372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 1.0157 -0.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 0.2076 -1.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4653 1.0521 -2.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3228 1.9221 -1.5174 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1604 1.1627 -0.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4281 0.4441 0.3362 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3351 -0.4261 1.4408 P 0 0 2 0 0 5 0 0 0 0 0 0 -1.6132 -0.6297 2.7513 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7021 -1.9329 0.7133 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6085 -2.6189 1.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0260 -2.5287 1.1159 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4315 -3.0801 -0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7695 -2.5630 -0.3559 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9147 -1.4216 0.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9304 -0.7427 0.6579 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5745 -1.1297 0.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0835 0.0611 1.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9911 1.1730 0.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4070 1.9381 2.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3370 3.0537 1.7179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8194 0.3610 1.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0755 -2.3383 2.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4775 -1.6243 4.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -1.4911 3.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0343 0.3060 3.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3603 0.5090 2.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6370 -0.9375 1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9850 0.6818 0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7479 -0.2627 0.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3067 -1.9220 0.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5775 -0.0932 -1.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0325 -1.7585 -1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6666 -1.6047 -3.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9252 -2.6617 -1.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 -1.2823 -3.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2897 -0.9328 -1.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6928 0.4721 -3.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9983 1.0858 -2.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6102 2.4950 -3.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 1.2295 -3.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6433 2.8578 -2.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0218 2.5036 -0.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1072 0.4370 -0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8955 1.6830 -0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0627 -0.5102 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0601 -0.4840 -2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0453 1.7358 -3.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1642 0.4522 -3.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9642 2.6069 -2.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6745 2.6210 -0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7717 0.4108 -1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9461 1.8002 -0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3455 -3.6972 1.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5026 -2.2040 2.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6306 -3.0875 1.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8070 -2.6139 -0.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4282 -4.1847 -0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3340 1.9606 0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7675 1.0157 0.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8566 1.2972 2.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5219 2.4273 2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4537 3.8406 2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3538 2.6812 1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9337 3.5513 0.8123 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 17 16 1 6 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 1 0 27 31 1 0 31 17 1 0 26 21 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 6 44 1 0 7 45 1 0 7 46 1 0 8 47 1 0 8 48 1 0 9 49 1 0 9 50 1 0 10 51 1 0 10 52 1 0 11 53 1 0 11 54 1 0 12 55 1 0 12 56 1 0 13 57 1 0 13 58 1 0 14 59 1 0 14 60 1 0 15 61 1 0 15 62 1 0 20 63 1 0 20 64 1 0 21 65 1 1 22 66 1 0 22 67 1 0 28 68 1 0 28 69 1 0 29 70 1 0 29 71 1 0 30 72 1 0 30 73 1 0 30 74 1 0 M END 3D SDF for NP0013685 (Salinipostin F)Mrv1652306242119493D 74 75 0 0 0 0 999 V2000 5.8636 -1.4717 3.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2422 -0.1842 2.5021 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7092 -0.3293 1.0707 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6200 -0.9386 0.1983 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1674 -1.0434 -1.1919 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1944 -1.6330 -2.1725 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9228 -0.7934 -2.2727 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2333 0.5827 -2.7191 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1217 1.5452 -2.8804 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3186 1.9776 -1.7372 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5410 1.0157 -0.9323 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5420 0.2076 -1.6899 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4653 1.0521 -2.3628 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3228 1.9221 -1.5174 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1604 1.1627 -0.5533 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4281 0.4441 0.3362 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3351 -0.4261 1.4408 P 0 0 2 0 0 5 0 0 0 0 0 0 -1.6132 -0.6297 2.7513 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7021 -1.9329 0.7133 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6085 -2.6189 1.4756 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0260 -2.5287 1.1159 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4315 -3.0801 -0.2219 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7695 -2.5630 -0.3559 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9147 -1.4216 0.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9304 -0.7427 0.6579 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5745 -1.1297 0.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0835 0.0611 1.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9911 1.1730 0.9149 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4070 1.9381 2.1692 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.3370 3.0537 1.7179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8194 0.3610 1.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0755 -2.3383 2.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4775 -1.6243 4.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -1.4911 3.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0343 0.3060 3.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3603 0.5090 2.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6370 -0.9375 1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9850 0.6818 0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7479 -0.2627 0.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3067 -1.9220 0.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5775 -0.0932 -1.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0325 -1.7585 -1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6666 -1.6047 -3.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9252 -2.6617 -1.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 -1.2823 -3.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2897 -0.9328 -1.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6928 0.4721 -3.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9983 1.0858 -2.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6102 2.4950 -3.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 1.2295 -3.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6433 2.8578 -2.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0218 2.5036 -0.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1072 0.4370 -0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8955 1.6830 -0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0627 -0.5102 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0601 -0.4840 -2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0453 1.7358 -3.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1642 0.4522 -3.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9642 2.6069 -2.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6745 2.6210 -0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7717 0.4108 -1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9461 1.8002 -0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3455 -3.6972 1.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5026 -2.2040 2.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6306 -3.0875 1.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8070 -2.6139 -0.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4282 -4.1847 -0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3340 1.9606 0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7675 1.0157 0.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8566 1.2972 2.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5219 2.4273 2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4537 3.8406 2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3538 2.6812 1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9337 3.5513 0.8123 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 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 17 16 1 6 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 2 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 27 31 1 0 0 0 0 31 17 1 0 0 0 0 26 21 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 9 49 1 0 0 0 0 9 50 1 0 0 0 0 10 51 1 0 0 0 0 10 52 1 0 0 0 0 11 53 1 0 0 0 0 11 54 1 0 0 0 0 12 55 1 0 0 0 0 12 56 1 0 0 0 0 13 57 1 0 0 0 0 13 58 1 0 0 0 0 14 59 1 0 0 0 0 14 60 1 0 0 0 0 15 61 1 0 0 0 0 15 62 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 21 65 1 1 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 30 74 1 0 0 0 0 M END > <DATABASE_ID> NP0013685 > <DATABASE_NAME> NP-MRD > <SMILES> [H]C([H])([H])C([H])([H])C([H])([H])C1=C2C(=O)OC([H])([H])[C@@]2([H])C([H])([H])O[P@@](=O)(OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O1 > <INCHI_IDENTIFIER> InChI=1S/C24H43O6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-28-31(26)29-20-21-19-27-24(25)23(21)22(30-31)17-4-2/h21H,3-20H2,1-2H3/t21-,31+/m0/s1 > <INCHI_KEY> CONVFBAOBJVKPP-JCOAXYOVSA-N > <FORMULA> C24H43O6P > <MOLECULAR_WEIGHT> 458.576 > <EXACT_MASS> 458.279726103 > <JCHEM_ACCEPTOR_COUNT> 2 > <JCHEM_ATOM_COUNT> 74 > <JCHEM_AVERAGE_POLARIZABILITY> 52.92515443793892 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 0 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (3R,8aS)-3-(pentadecyloxy)-5-propyl-1H,3H,6H,8H,8aH-3lambda5-furo[3,4-e][1,3,2]dioxaphosphepine-3,6-dione > <ALOGPS_LOGP> 6.36 > <JCHEM_LOGP> 7.087848888666667 > <ALOGPS_LOGS> -5.71 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 2 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA_STRONGEST_BASIC> -6.985011325395944 > <JCHEM_POLAR_SURFACE_AREA> 71.06 > <JCHEM_REFRACTIVITY> 123.97009999999996 > <JCHEM_ROTATABLE_BOND_COUNT> 17 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 9.02e-04 g/l > <JCHEM_TRADITIONAL_IUPAC> (3R,8aS)-3-(pentadecyloxy)-5-propyl-1H,8H,8aH-3lambda5-furo[3,4-e][1,3,2]dioxaphosphepine-3,6-dione > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0013685 (Salinipostin F)RDKit 3D 74 75 0 0 0 0 0 0 0 0999 V2000 5.8636 -1.4717 3.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2422 -0.1842 2.5021 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7092 -0.3293 1.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -0.9386 0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1674 -1.0434 -1.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1944 -1.6330 -2.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9228 -0.7934 -2.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2333 0.5827 -2.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1217 1.5452 -2.8804 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3186 1.9776 -1.7372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 1.0157 -0.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 0.2076 -1.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4653 1.0521 -2.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3228 1.9221 -1.5174 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1604 1.1627 -0.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4281 0.4441 0.3362 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3351 -0.4261 1.4408 P 0 0 2 0 0 5 0 0 0 0 0 0 -1.6132 -0.6297 2.7513 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7021 -1.9329 0.7133 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6085 -2.6189 1.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0260 -2.5287 1.1159 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4315 -3.0801 -0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7695 -2.5630 -0.3559 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9147 -1.4216 0.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9304 -0.7427 0.6579 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5745 -1.1297 0.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0835 0.0611 1.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9911 1.1730 0.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4070 1.9381 2.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3370 3.0537 1.7179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8194 0.3610 1.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0755 -2.3383 2.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4775 -1.6243 4.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -1.4911 3.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0343 0.3060 3.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3603 0.5090 2.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6370 -0.9375 1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9850 0.6818 0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7479 -0.2627 0.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3067 -1.9220 0.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5775 -0.0932 -1.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0325 -1.7585 -1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6666 -1.6047 -3.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9252 -2.6617 -1.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 -1.2823 -3.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2897 -0.9328 -1.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6928 0.4721 -3.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9983 1.0858 -2.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6102 2.4950 -3.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 1.2295 -3.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6433 2.8578 -2.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0218 2.5036 -0.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1072 0.4370 -0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8955 1.6830 -0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0627 -0.5102 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0601 -0.4840 -2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0453 1.7358 -3.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1642 0.4522 -3.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9642 2.6069 -2.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6745 2.6210 -0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7717 0.4108 -1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9461 1.8002 -0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3455 -3.6972 1.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5026 -2.2040 2.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6306 -3.0875 1.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8070 -2.6139 -0.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4282 -4.1847 -0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3340 1.9606 0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7675 1.0157 0.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8566 1.2972 2.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5219 2.4273 2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4537 3.8406 2.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3538 2.6812 1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9337 3.5513 0.8123 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 17 16 1 6 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 1 0 27 31 1 0 31 17 1 0 26 21 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 6 44 1 0 7 45 1 0 7 46 1 0 8 47 1 0 8 48 1 0 9 49 1 0 9 50 1 0 10 51 1 0 10 52 1 0 11 53 1 0 11 54 1 0 12 55 1 0 12 56 1 0 13 57 1 0 13 58 1 0 14 59 1 0 14 60 1 0 15 61 1 0 15 62 1 0 20 63 1 0 20 64 1 0 21 65 1 1 22 66 1 0 22 67 1 0 28 68 1 0 28 69 1 0 29 70 1 0 29 71 1 0 30 72 1 0 30 73 1 0 30 74 1 0 M END PDB for NP0013685 (Salinipostin F)HEADER PROTEIN 24-JUN-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-JUN-21 0 HETATM 1 C UNK 0 5.864 -1.472 3.143 0.00 0.00 C+0 HETATM 2 C UNK 0 6.242 -0.184 2.502 0.00 0.00 C+0 HETATM 3 C UNK 0 6.709 -0.329 1.071 0.00 0.00 C+0 HETATM 4 C UNK 0 5.620 -0.939 0.198 0.00 0.00 C+0 HETATM 5 C UNK 0 6.167 -1.043 -1.192 0.00 0.00 C+0 HETATM 6 C UNK 0 5.194 -1.633 -2.172 0.00 0.00 C+0 HETATM 7 C UNK 0 3.923 -0.793 -2.273 0.00 0.00 C+0 HETATM 8 C UNK 0 4.233 0.583 -2.719 0.00 0.00 C+0 HETATM 9 C UNK 0 3.122 1.545 -2.880 0.00 0.00 C+0 HETATM 10 C UNK 0 2.319 1.978 -1.737 0.00 0.00 C+0 HETATM 11 C UNK 0 1.541 1.016 -0.932 0.00 0.00 C+0 HETATM 12 C UNK 0 0.542 0.208 -1.690 0.00 0.00 C+0 HETATM 13 C UNK 0 -0.465 1.052 -2.363 0.00 0.00 C+0 HETATM 14 C UNK 0 -1.323 1.922 -1.517 0.00 0.00 C+0 HETATM 15 C UNK 0 -2.160 1.163 -0.553 0.00 0.00 C+0 HETATM 16 O UNK 0 -1.428 0.444 0.336 0.00 0.00 O+0 HETATM 17 P UNK 0 -2.335 -0.426 1.441 0.00 0.00 P+0 HETATM 18 O UNK 0 -1.613 -0.630 2.751 0.00 0.00 O+0 HETATM 19 O UNK 0 -2.702 -1.933 0.713 0.00 0.00 O+0 HETATM 20 C UNK 0 -3.608 -2.619 1.476 0.00 0.00 C+0 HETATM 21 C UNK 0 -5.026 -2.529 1.116 0.00 0.00 C+0 HETATM 22 C UNK 0 -5.431 -3.080 -0.222 0.00 0.00 C+0 HETATM 23 O UNK 0 -6.769 -2.563 -0.356 0.00 0.00 O+0 HETATM 24 C UNK 0 -6.915 -1.422 0.424 0.00 0.00 C+0 HETATM 25 O UNK 0 -7.930 -0.743 0.658 0.00 0.00 O+0 HETATM 26 C UNK 0 -5.574 -1.130 0.966 0.00 0.00 C+0 HETATM 27 C UNK 0 -5.083 0.061 1.225 0.00 0.00 C+0 HETATM 28 C UNK 0 -5.991 1.173 0.915 0.00 0.00 C+0 HETATM 29 C UNK 0 -6.407 1.938 2.169 0.00 0.00 C+0 HETATM 30 C UNK 0 -7.337 3.054 1.718 0.00 0.00 C+0 HETATM 31 O UNK 0 -3.819 0.361 1.752 0.00 0.00 O+0 HETATM 32 H UNK 0 6.075 -2.338 2.480 0.00 0.00 H+0 HETATM 33 H UNK 0 6.478 -1.624 4.052 0.00 0.00 H+0 HETATM 34 H UNK 0 4.800 -1.491 3.494 0.00 0.00 H+0 HETATM 35 H UNK 0 7.034 0.306 3.099 0.00 0.00 H+0 HETATM 36 H UNK 0 5.360 0.509 2.545 0.00 0.00 H+0 HETATM 37 H UNK 0 7.637 -0.938 1.065 0.00 0.00 H+0 HETATM 38 H UNK 0 6.985 0.682 0.711 0.00 0.00 H+0 HETATM 39 H UNK 0 4.748 -0.263 0.276 0.00 0.00 H+0 HETATM 40 H UNK 0 5.307 -1.922 0.558 0.00 0.00 H+0 HETATM 41 H UNK 0 6.577 -0.093 -1.538 0.00 0.00 H+0 HETATM 42 H UNK 0 7.032 -1.759 -1.143 0.00 0.00 H+0 HETATM 43 H UNK 0 5.667 -1.605 -3.176 0.00 0.00 H+0 HETATM 44 H UNK 0 4.925 -2.662 -1.943 0.00 0.00 H+0 HETATM 45 H UNK 0 3.359 -1.282 -3.133 0.00 0.00 H+0 HETATM 46 H UNK 0 3.290 -0.933 -1.411 0.00 0.00 H+0 HETATM 47 H UNK 0 4.693 0.472 -3.762 0.00 0.00 H+0 HETATM 48 H UNK 0 4.998 1.086 -2.061 0.00 0.00 H+0 HETATM 49 H UNK 0 3.610 2.495 -3.306 0.00 0.00 H+0 HETATM 50 H UNK 0 2.488 1.230 -3.769 0.00 0.00 H+0 HETATM 51 H UNK 0 1.643 2.858 -2.026 0.00 0.00 H+0 HETATM 52 H UNK 0 3.022 2.504 -0.999 0.00 0.00 H+0 HETATM 53 H UNK 0 2.107 0.437 -0.165 0.00 0.00 H+0 HETATM 54 H UNK 0 0.896 1.683 -0.239 0.00 0.00 H+0 HETATM 55 H UNK 0 0.063 -0.510 -0.994 0.00 0.00 H+0 HETATM 56 H UNK 0 1.060 -0.484 -2.430 0.00 0.00 H+0 HETATM 57 H UNK 0 0.045 1.736 -3.112 0.00 0.00 H+0 HETATM 58 H UNK 0 -1.164 0.452 -3.011 0.00 0.00 H+0 HETATM 59 H UNK 0 -1.964 2.607 -2.159 0.00 0.00 H+0 HETATM 60 H UNK 0 -0.675 2.621 -0.909 0.00 0.00 H+0 HETATM 61 H UNK 0 -2.772 0.411 -1.147 0.00 0.00 H+0 HETATM 62 H UNK 0 -2.946 1.800 -0.081 0.00 0.00 H+0 HETATM 63 H UNK 0 -3.345 -3.697 1.602 0.00 0.00 H+0 HETATM 64 H UNK 0 -3.503 -2.204 2.524 0.00 0.00 H+0 HETATM 65 H UNK 0 -5.631 -3.087 1.871 0.00 0.00 H+0 HETATM 66 H UNK 0 -4.807 -2.614 -0.989 0.00 0.00 H+0 HETATM 67 H UNK 0 -5.428 -4.185 -0.258 0.00 0.00 H+0 HETATM 68 H UNK 0 -5.334 1.961 0.386 0.00 0.00 H+0 HETATM 69 H UNK 0 -6.768 1.016 0.189 0.00 0.00 H+0 HETATM 70 H UNK 0 -6.857 1.297 2.926 0.00 0.00 H+0 HETATM 71 H UNK 0 -5.522 2.427 2.626 0.00 0.00 H+0 HETATM 72 H UNK 0 -7.454 3.841 2.491 0.00 0.00 H+0 HETATM 73 H UNK 0 -8.354 2.681 1.480 0.00 0.00 H+0 HETATM 74 H UNK 0 -6.934 3.551 0.812 0.00 0.00 H+0 CONECT 1 2 32 33 34 CONECT 2 1 3 35 36 CONECT 3 2 4 37 38 CONECT 4 3 5 39 40 CONECT 5 4 6 41 42 CONECT 6 5 7 43 44 CONECT 7 6 8 45 46 CONECT 8 7 9 47 48 CONECT 9 8 10 49 50 CONECT 10 9 11 51 52 CONECT 11 10 12 53 54 CONECT 12 11 13 55 56 CONECT 13 12 14 57 58 CONECT 14 13 15 59 60 CONECT 15 14 16 61 62 CONECT 16 15 17 CONECT 17 16 18 19 31 CONECT 18 17 CONECT 19 17 20 CONECT 20 19 21 63 64 CONECT 21 20 22 26 65 CONECT 22 21 23 66 67 CONECT 23 22 24 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 27 21 CONECT 27 26 28 31 CONECT 28 27 29 68 69 CONECT 29 28 30 70 71 CONECT 30 29 72 73 74 CONECT 31 27 17 CONECT 32 1 CONECT 33 1 CONECT 34 1 CONECT 35 2 CONECT 36 2 CONECT 37 3 CONECT 38 3 CONECT 39 4 CONECT 40 4 CONECT 41 5 CONECT 42 5 CONECT 43 6 CONECT 44 6 CONECT 45 7 CONECT 46 7 CONECT 47 8 CONECT 48 8 CONECT 49 9 CONECT 50 9 CONECT 51 10 CONECT 52 10 CONECT 53 11 CONECT 54 11 CONECT 55 12 CONECT 56 12 CONECT 57 13 CONECT 58 13 CONECT 59 14 CONECT 60 14 CONECT 61 15 CONECT 62 15 CONECT 63 20 CONECT 64 20 CONECT 65 21 CONECT 66 22 CONECT 67 22 CONECT 68 28 CONECT 69 28 CONECT 70 29 CONECT 71 29 CONECT 72 30 CONECT 73 30 CONECT 74 30 MASTER 0 0 0 0 0 0 0 0 74 0 150 0 END SMILES for NP0013685 (Salinipostin F)[H]C([H])([H])C([H])([H])C([H])([H])C1=C2C(=O)OC([H])([H])[C@@]2([H])C([H])([H])O[P@@](=O)(OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])O1 INCHI for NP0013685 (Salinipostin F)InChI=1S/C24H43O6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-28-31(26)29-20-21-19-27-24(25)23(21)22(30-31)17-4-2/h21H,3-20H2,1-2H3/t21-,31+/m0/s1 3D Structure for NP0013685 (Salinipostin F) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C24H43O6P | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 458.5760 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 458.27973 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (3R,8aS)-3-(pentadecyloxy)-5-propyl-1H,3H,6H,8H,8aH-3lambda5-furo[3,4-e][1,3,2]dioxaphosphepine-3,6-dione | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (3R,8aS)-3-(pentadecyloxy)-5-propyl-1H,8H,8aH-3lambda5-furo[3,4-e][1,3,2]dioxaphosphepine-3,6-dione | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CCCCCCCCCCCCCCCO[P@]1(=O)OC[C@@H]2COC(=O)C2=C(CCC)O1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C24H43O6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-28-31(26)29-20-21-19-27-24(25)23(21)22(30-31)17-4-2/h21H,3-20H2,1-2H3/t21-,31+/m0/s1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | CONVFBAOBJVKPP-JCOAXYOVSA-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 | NPA012311 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 35516695 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 129903272 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |