Showing NP-Card for Salinilactam (NP0007111)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2020-12-09 03:59:47 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 16:56:41 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0007111 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Salinilactam | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Salinilactam is found in Salinispora tropica. It was first documented in 2007 (PMID: 17563368). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0007111 (Salinilactam)Mrv1652306242118373D 73 73 0 0 0 0 999 V2000 -4.8386 3.0214 -2.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6991 2.7772 -1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2299 1.5470 -1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1806 0.9631 -0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2373 0.2003 0.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4207 -0.2807 1.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0517 -1.3957 0.9572 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5645 -2.2346 -0.2082 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0785 -2.5462 -0.0370 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8351 -2.8034 1.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7332 -3.6653 -0.8829 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0352 -4.8379 -0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6391 -5.8974 -1.0662 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1652 -5.0483 0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4102 -4.7285 -0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9383 -4.0890 -1.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2203 -2.8145 -1.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0301 -1.7472 -0.3835 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6134 -2.1939 0.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6246 -0.4707 -0.8959 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5304 0.3981 -1.0827 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7282 0.1519 -0.1436 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5789 -0.8441 0.3333 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3829 1.1922 0.8870 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2111 0.9096 2.0059 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7653 2.6162 0.4919 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7864 3.6438 1.1529 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5366 4.6852 0.2751 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5596 2.9141 1.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4442 2.7810 0.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1765 3.3285 -0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8921 4.0477 -0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0642 4.4430 -0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2806 3.8791 -0.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4438 2.1147 -2.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4802 3.8336 -1.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3489 3.3374 -3.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6743 0.9520 -2.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1121 1.0330 -0.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 -0.0040 1.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8149 0.2171 2.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9342 -1.6763 1.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0927 -3.2047 -0.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8028 -1.7823 -1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4126 -1.7487 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9223 -2.2944 1.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6896 -2.5233 2.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 -3.9204 1.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -3.5565 -1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0257 -5.5760 1.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1404 -5.1095 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 -4.6986 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6192 -2.5165 -2.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -1.6267 -0.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8279 -2.8495 1.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 -2.8319 0.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6963 -1.3308 1.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9719 -0.6634 -1.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9436 0.2206 -0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3742 0.7171 -0.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4495 -0.4276 0.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3658 1.1269 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1460 1.1667 1.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 2.7184 -0.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 2.8806 0.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 3.9849 2.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7718 4.4816 -0.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5381 2.4170 2.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2766 2.0749 1.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7829 3.0986 -1.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7041 4.4223 -1.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0339 5.3376 0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0883 4.3042 0.3865 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 3 38 1 0 0 0 0 4 39 1 0 0 0 0 5 40 1 0 0 0 0 6 41 1 0 0 0 0 7 42 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 45 1 6 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 49 1 0 0 0 0 14 50 1 0 0 0 0 15 51 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 1 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 58 1 6 0 0 0 21 59 1 0 0 0 0 22 60 1 6 0 0 0 23 61 1 0 0 0 0 24 62 1 1 0 0 0 25 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 66 1 1 0 0 0 28 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 31 70 1 0 0 0 0 32 71 1 0 0 0 0 33 72 1 0 0 0 0 34 73 1 0 0 0 0 M END 3D MOL for NP0007111 (Salinilactam)RDKit 3D 73 73 0 0 0 0 0 0 0 0999 V2000 -4.8386 3.0214 -2.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6991 2.7772 -1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2299 1.5470 -1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1806 0.9631 -0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2373 0.2003 0.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4207 -0.2807 1.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0517 -1.3957 0.9572 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5645 -2.2346 -0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0785 -2.5462 -0.0370 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8351 -2.8034 1.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7332 -3.6653 -0.8829 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0352 -4.8379 -0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6391 -5.8974 -1.0662 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1652 -5.0483 0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4102 -4.7285 -0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9383 -4.0890 -1.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2203 -2.8145 -1.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0301 -1.7472 -0.3835 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6134 -2.1939 0.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6246 -0.4707 -0.8959 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5304 0.3981 -1.0827 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7282 0.1519 -0.1436 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5789 -0.8441 0.3333 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3829 1.1922 0.8870 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2111 0.9096 2.0059 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7653 2.6162 0.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7864 3.6438 1.1529 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5366 4.6852 0.2751 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5596 2.9141 1.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4442 2.7810 0.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1765 3.3285 -0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8921 4.0477 -0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0642 4.4430 -0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2806 3.8791 -0.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4438 2.1147 -2.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4802 3.8336 -1.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3489 3.3374 -3.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6743 0.9520 -2.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1121 1.0330 -0.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 -0.0040 1.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8149 0.2171 2.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9342 -1.6763 1.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0927 -3.2047 -0.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8028 -1.7823 -1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4126 -1.7487 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9223 -2.2944 1.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6896 -2.5233 2.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 -3.9204 1.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -3.5565 -1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0257 -5.5760 1.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1404 -5.1095 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 -4.6986 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6192 -2.5165 -2.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -1.6267 -0.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8279 -2.8495 1.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 -2.8319 0.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6963 -1.3308 1.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9719 -0.6634 -1.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9436 0.2206 -0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3742 0.7171 -0.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4495 -0.4276 0.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3658 1.1269 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1460 1.1667 1.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 2.7184 -0.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 2.8806 0.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 3.9849 2.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7718 4.4816 -0.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5381 2.4170 2.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2766 2.0749 1.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7829 3.0986 -1.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7041 4.4223 -1.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0339 5.3376 0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0883 4.3042 0.3865 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 9 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 2 1 0 1 35 1 0 1 36 1 0 1 37 1 0 3 38 1 0 4 39 1 0 5 40 1 0 6 41 1 0 7 42 1 0 8 43 1 0 8 44 1 0 9 45 1 6 10 46 1 0 10 47 1 0 10 48 1 0 11 49 1 0 14 50 1 0 15 51 1 0 16 52 1 0 17 53 1 0 18 54 1 1 19 55 1 0 19 56 1 0 19 57 1 0 20 58 1 6 21 59 1 0 22 60 1 6 23 61 1 0 24 62 1 1 25 63 1 0 26 64 1 0 26 65 1 0 27 66 1 1 28 67 1 0 29 68 1 0 30 69 1 0 31 70 1 0 32 71 1 0 33 72 1 0 34 73 1 0 M END 3D SDF for NP0007111 (Salinilactam)Mrv1652306242118373D 73 73 0 0 0 0 999 V2000 -4.8386 3.0214 -2.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6991 2.7772 -1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2299 1.5470 -1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1806 0.9631 -0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2373 0.2003 0.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4207 -0.2807 1.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0517 -1.3957 0.9572 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5645 -2.2346 -0.2082 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0785 -2.5462 -0.0370 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8351 -2.8034 1.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7332 -3.6653 -0.8829 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0352 -4.8379 -0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6391 -5.8974 -1.0662 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1652 -5.0483 0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4102 -4.7285 -0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9383 -4.0890 -1.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2203 -2.8145 -1.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0301 -1.7472 -0.3835 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6134 -2.1939 0.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6246 -0.4707 -0.8959 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5304 0.3981 -1.0827 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7282 0.1519 -0.1436 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5789 -0.8441 0.3333 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3829 1.1922 0.8870 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2111 0.9096 2.0059 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7653 2.6162 0.4919 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7864 3.6438 1.1529 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5366 4.6852 0.2751 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5596 2.9141 1.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4442 2.7810 0.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1765 3.3285 -0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8921 4.0477 -0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0642 4.4430 -0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2806 3.8791 -0.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4438 2.1147 -2.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4802 3.8336 -1.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3489 3.3374 -3.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6743 0.9520 -2.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1121 1.0330 -0.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 -0.0040 1.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8149 0.2171 2.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9342 -1.6763 1.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0927 -3.2047 -0.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8028 -1.7823 -1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4126 -1.7487 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9223 -2.2944 1.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6896 -2.5233 2.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 -3.9204 1.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -3.5565 -1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0257 -5.5760 1.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1404 -5.1095 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 -4.6986 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6192 -2.5165 -2.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -1.6267 -0.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8279 -2.8495 1.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 -2.8319 0.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6963 -1.3308 1.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9719 -0.6634 -1.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9436 0.2206 -0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3742 0.7171 -0.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4495 -0.4276 0.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3658 1.1269 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1460 1.1667 1.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 2.7184 -0.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 2.8806 0.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 3.9849 2.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7718 4.4816 -0.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5381 2.4170 2.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2766 2.0749 1.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7829 3.0986 -1.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7041 4.4223 -1.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0339 5.3376 0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0883 4.3042 0.3865 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 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 3 38 1 0 0 0 0 4 39 1 0 0 0 0 5 40 1 0 0 0 0 6 41 1 0 0 0 0 7 42 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 45 1 6 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 49 1 0 0 0 0 14 50 1 0 0 0 0 15 51 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 1 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 58 1 6 0 0 0 21 59 1 0 0 0 0 22 60 1 6 0 0 0 23 61 1 0 0 0 0 24 62 1 1 0 0 0 25 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 66 1 1 0 0 0 28 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 31 70 1 0 0 0 0 32 71 1 0 0 0 0 33 72 1 0 0 0 0 34 73 1 0 0 0 0 M END > <DATABASE_ID> NP0007111 > <DATABASE_NAME> NP-MRD > <SMILES> [H]O[C@@]1([H])\C([H])=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C(\[H])/C(=C(/[H])\C(\[H])=C(\[H])/C(/[H])=C([H])\C([H])([H])[C@]([H])(N([H])C(=O)\C([H])=C(\[H])/C(/[H])=C([H])\[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])C1([H])[H])C([H])([H])[H])/C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C28H39NO5/c1-21-14-8-4-6-10-17-23(3)29-26(32)19-13-12-16-22(2)27(33)28(34)25(31)20-24(30)18-11-7-5-9-15-21/h4-16,18-19,22-25,27-28,30-31,33-34H,17,20H2,1-3H3,(H,29,32)/b7-5-,8-4-,10-6-,15-9-,16-12-,18-11-,19-13-,21-14-/t22-,23-,24+,25+,27-,28-/m1/s1 > <INCHI_KEY> INFZKNGDHJIHQW-QCELWQDSSA-N > <FORMULA> C28H39NO5 > <MOLECULAR_WEIGHT> 469.622 > <EXACT_MASS> 469.28282336 > <JCHEM_ACCEPTOR_COUNT> 5 > <JCHEM_ATOM_COUNT> 73 > <JCHEM_AVERAGE_POLARIZABILITY> 52.388892447940925 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 5 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (3Z,5Z,7R,8R,9R,10S,12R,13Z,15Z,17Z,19Z,21Z,23Z,26R)-8,9,10,12-tetrahydroxy-7,19,26-trimethyl-1-azacyclohexacosa-3,5,13,15,17,19,21,23-octaen-2-one > <ALOGPS_LOGP> 3.63 > <JCHEM_LOGP> 2.4054828683333334 > <ALOGPS_LOGS> -4.56 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 1 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 14.267515231276473 > <JCHEM_PKA_STRONGEST_ACIDIC> 13.062460485774494 > <JCHEM_PKA_STRONGEST_BASIC> -0.18173830394074575 > <JCHEM_POLAR_SURFACE_AREA> 110.02000000000001 > <JCHEM_REFRACTIVITY> 146.82520000000002 > <JCHEM_ROTATABLE_BOND_COUNT> 0 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 1.30e-02 g/l > <JCHEM_TRADITIONAL_IUPAC> (3Z,5Z,7R,8R,9R,10S,12R,13Z,15Z,17Z,19Z,21Z,23Z,26R)-8,9,10,12-tetrahydroxy-7,19,26-trimethyl-1-azacyclohexacosa-3,5,13,15,17,19,21,23-octaen-2-one > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0007111 (Salinilactam)RDKit 3D 73 73 0 0 0 0 0 0 0 0999 V2000 -4.8386 3.0214 -2.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6991 2.7772 -1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2299 1.5470 -1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1806 0.9631 -0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2373 0.2003 0.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4207 -0.2807 1.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0517 -1.3957 0.9572 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5645 -2.2346 -0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0785 -2.5462 -0.0370 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8351 -2.8034 1.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7332 -3.6653 -0.8829 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0352 -4.8379 -0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6391 -5.8974 -1.0662 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1652 -5.0483 0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4102 -4.7285 -0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9383 -4.0890 -1.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2203 -2.8145 -1.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0301 -1.7472 -0.3835 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6134 -2.1939 0.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6246 -0.4707 -0.8959 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5304 0.3981 -1.0827 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7282 0.1519 -0.1436 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5789 -0.8441 0.3333 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3829 1.1922 0.8870 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2111 0.9096 2.0059 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7653 2.6162 0.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7864 3.6438 1.1529 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5366 4.6852 0.2751 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5596 2.9141 1.5333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4442 2.7810 0.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1765 3.3285 -0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8921 4.0477 -0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0642 4.4430 -0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2806 3.8791 -0.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4438 2.1147 -2.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4802 3.8336 -1.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3489 3.3374 -3.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6743 0.9520 -2.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1121 1.0330 -0.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 -0.0040 1.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8149 0.2171 2.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9342 -1.6763 1.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0927 -3.2047 -0.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8028 -1.7823 -1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4126 -1.7487 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9223 -2.2944 1.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6896 -2.5233 2.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 -3.9204 1.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -3.5565 -1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0257 -5.5760 1.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1404 -5.1095 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 -4.6986 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6192 -2.5165 -2.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -1.6267 -0.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8279 -2.8495 1.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 -2.8319 0.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6963 -1.3308 1.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9719 -0.6634 -1.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9436 0.2206 -0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3742 0.7171 -0.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4495 -0.4276 0.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3658 1.1269 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1460 1.1667 1.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 2.7184 -0.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 2.8806 0.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 3.9849 2.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7718 4.4816 -0.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5381 2.4170 2.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2766 2.0749 1.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7829 3.0986 -1.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7041 4.4223 -1.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0339 5.3376 0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0883 4.3042 0.3865 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 9 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 2 1 0 1 35 1 0 1 36 1 0 1 37 1 0 3 38 1 0 4 39 1 0 5 40 1 0 6 41 1 0 7 42 1 0 8 43 1 0 8 44 1 0 9 45 1 6 10 46 1 0 10 47 1 0 10 48 1 0 11 49 1 0 14 50 1 0 15 51 1 0 16 52 1 0 17 53 1 0 18 54 1 1 19 55 1 0 19 56 1 0 19 57 1 0 20 58 1 6 21 59 1 0 22 60 1 6 23 61 1 0 24 62 1 1 25 63 1 0 26 64 1 0 26 65 1 0 27 66 1 1 28 67 1 0 29 68 1 0 30 69 1 0 31 70 1 0 32 71 1 0 33 72 1 0 34 73 1 0 M END PDB for NP0007111 (Salinilactam)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 -4.839 3.021 -2.103 0.00 0.00 C+0 HETATM 2 C UNK 0 -3.699 2.777 -1.085 0.00 0.00 C+0 HETATM 3 C UNK 0 -3.230 1.547 -1.179 0.00 0.00 C+0 HETATM 4 C UNK 0 -2.181 0.963 -0.393 0.00 0.00 C+0 HETATM 5 C UNK 0 -2.237 0.200 0.678 0.00 0.00 C+0 HETATM 6 C UNK 0 -3.421 -0.281 1.345 0.00 0.00 C+0 HETATM 7 C UNK 0 -4.052 -1.396 0.957 0.00 0.00 C+0 HETATM 8 C UNK 0 -3.564 -2.235 -0.208 0.00 0.00 C+0 HETATM 9 C UNK 0 -2.079 -2.546 -0.037 0.00 0.00 C+0 HETATM 10 C UNK 0 -1.835 -2.803 1.417 0.00 0.00 C+0 HETATM 11 N UNK 0 -1.733 -3.665 -0.883 0.00 0.00 N+0 HETATM 12 C UNK 0 -1.035 -4.838 -0.552 0.00 0.00 C+0 HETATM 13 O UNK 0 -1.639 -5.897 -1.066 0.00 0.00 O+0 HETATM 14 C UNK 0 0.165 -5.048 0.220 0.00 0.00 C+0 HETATM 15 C UNK 0 1.410 -4.729 -0.086 0.00 0.00 C+0 HETATM 16 C UNK 0 1.938 -4.089 -1.241 0.00 0.00 C+0 HETATM 17 C UNK 0 2.220 -2.814 -1.423 0.00 0.00 C+0 HETATM 18 C UNK 0 2.030 -1.747 -0.384 0.00 0.00 C+0 HETATM 19 C UNK 0 2.613 -2.194 0.942 0.00 0.00 C+0 HETATM 20 C UNK 0 2.625 -0.471 -0.896 0.00 0.00 C+0 HETATM 21 O UNK 0 1.530 0.398 -1.083 0.00 0.00 O+0 HETATM 22 C UNK 0 3.728 0.152 -0.144 0.00 0.00 C+0 HETATM 23 O UNK 0 4.579 -0.844 0.333 0.00 0.00 O+0 HETATM 24 C UNK 0 3.383 1.192 0.887 0.00 0.00 C+0 HETATM 25 O UNK 0 4.211 0.910 2.006 0.00 0.00 O+0 HETATM 26 C UNK 0 3.765 2.616 0.492 0.00 0.00 C+0 HETATM 27 C UNK 0 2.786 3.644 1.153 0.00 0.00 C+0 HETATM 28 O UNK 0 2.537 4.685 0.275 0.00 0.00 O+0 HETATM 29 C UNK 0 1.560 2.914 1.533 0.00 0.00 C+0 HETATM 30 C UNK 0 0.444 2.781 0.827 0.00 0.00 C+0 HETATM 31 C UNK 0 0.177 3.329 -0.460 0.00 0.00 C+0 HETATM 32 C UNK 0 -0.892 4.048 -0.882 0.00 0.00 C+0 HETATM 33 C UNK 0 -2.064 4.443 -0.157 0.00 0.00 C+0 HETATM 34 C UNK 0 -3.281 3.879 -0.251 0.00 0.00 C+0 HETATM 35 H UNK 0 -5.444 2.115 -2.183 0.00 0.00 H+0 HETATM 36 H UNK 0 -5.480 3.834 -1.770 0.00 0.00 H+0 HETATM 37 H UNK 0 -4.349 3.337 -3.047 0.00 0.00 H+0 HETATM 38 H UNK 0 -3.674 0.952 -2.010 0.00 0.00 H+0 HETATM 39 H UNK 0 -1.112 1.033 -0.774 0.00 0.00 H+0 HETATM 40 H UNK 0 -1.212 -0.004 1.140 0.00 0.00 H+0 HETATM 41 H UNK 0 -3.815 0.217 2.207 0.00 0.00 H+0 HETATM 42 H UNK 0 -4.934 -1.676 1.508 0.00 0.00 H+0 HETATM 43 H UNK 0 -4.093 -3.205 -0.135 0.00 0.00 H+0 HETATM 44 H UNK 0 -3.803 -1.782 -1.168 0.00 0.00 H+0 HETATM 45 H UNK 0 -1.413 -1.749 -0.372 0.00 0.00 H+0 HETATM 46 H UNK 0 -0.922 -2.294 1.778 0.00 0.00 H+0 HETATM 47 H UNK 0 -2.690 -2.523 2.037 0.00 0.00 H+0 HETATM 48 H UNK 0 -1.726 -3.920 1.554 0.00 0.00 H+0 HETATM 49 H UNK 0 -2.068 -3.557 -1.891 0.00 0.00 H+0 HETATM 50 H UNK 0 -0.026 -5.576 1.209 0.00 0.00 H+0 HETATM 51 H UNK 0 2.140 -5.109 0.689 0.00 0.00 H+0 HETATM 52 H UNK 0 2.234 -4.699 -2.154 0.00 0.00 H+0 HETATM 53 H UNK 0 2.619 -2.517 -2.419 0.00 0.00 H+0 HETATM 54 H UNK 0 0.942 -1.627 -0.199 0.00 0.00 H+0 HETATM 55 H UNK 0 1.828 -2.849 1.423 0.00 0.00 H+0 HETATM 56 H UNK 0 3.489 -2.832 0.839 0.00 0.00 H+0 HETATM 57 H UNK 0 2.696 -1.331 1.607 0.00 0.00 H+0 HETATM 58 H UNK 0 2.972 -0.663 -1.936 0.00 0.00 H+0 HETATM 59 H UNK 0 0.944 0.221 -0.271 0.00 0.00 H+0 HETATM 60 H UNK 0 4.374 0.717 -0.888 0.00 0.00 H+0 HETATM 61 H UNK 0 5.449 -0.428 0.526 0.00 0.00 H+0 HETATM 62 H UNK 0 2.366 1.127 1.255 0.00 0.00 H+0 HETATM 63 H UNK 0 5.146 1.167 1.821 0.00 0.00 H+0 HETATM 64 H UNK 0 3.586 2.718 -0.578 0.00 0.00 H+0 HETATM 65 H UNK 0 4.787 2.881 0.752 0.00 0.00 H+0 HETATM 66 H UNK 0 3.275 3.985 2.066 0.00 0.00 H+0 HETATM 67 H UNK 0 2.772 4.482 -0.655 0.00 0.00 H+0 HETATM 68 H UNK 0 1.538 2.417 2.541 0.00 0.00 H+0 HETATM 69 H UNK 0 -0.277 2.075 1.359 0.00 0.00 H+0 HETATM 70 H UNK 0 0.783 3.099 -1.381 0.00 0.00 H+0 HETATM 71 H UNK 0 -0.704 4.422 -1.932 0.00 0.00 H+0 HETATM 72 H UNK 0 -2.034 5.338 0.511 0.00 0.00 H+0 HETATM 73 H UNK 0 -4.088 4.304 0.387 0.00 0.00 H+0 CONECT 1 2 35 36 37 CONECT 2 1 3 34 CONECT 3 2 4 38 CONECT 4 3 5 39 CONECT 5 4 6 40 CONECT 6 5 7 41 CONECT 7 6 8 42 CONECT 8 7 9 43 44 CONECT 9 8 10 11 45 CONECT 10 9 46 47 48 CONECT 11 9 12 49 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 15 50 CONECT 15 14 16 51 CONECT 16 15 17 52 CONECT 17 16 18 53 CONECT 18 17 19 20 54 CONECT 19 18 55 56 57 CONECT 20 18 21 22 58 CONECT 21 20 59 CONECT 22 20 23 24 60 CONECT 23 22 61 CONECT 24 22 25 26 62 CONECT 25 24 63 CONECT 26 24 27 64 65 CONECT 27 26 28 29 66 CONECT 28 27 67 CONECT 29 27 30 68 CONECT 30 29 31 69 CONECT 31 30 32 70 CONECT 32 31 33 71 CONECT 33 32 34 72 CONECT 34 33 2 73 CONECT 35 1 CONECT 36 1 CONECT 37 1 CONECT 38 3 CONECT 39 4 CONECT 40 5 CONECT 41 6 CONECT 42 7 CONECT 43 8 CONECT 44 8 CONECT 45 9 CONECT 46 10 CONECT 47 10 CONECT 48 10 CONECT 49 11 CONECT 50 14 CONECT 51 15 CONECT 52 16 CONECT 53 17 CONECT 54 18 CONECT 55 19 CONECT 56 19 CONECT 57 19 CONECT 58 20 CONECT 59 21 CONECT 60 22 CONECT 61 23 CONECT 62 24 CONECT 63 25 CONECT 64 26 CONECT 65 26 CONECT 66 27 CONECT 67 28 CONECT 68 29 CONECT 69 30 CONECT 70 31 CONECT 71 32 CONECT 72 33 CONECT 73 34 MASTER 0 0 0 0 0 0 0 0 73 0 146 0 END SMILES for NP0007111 (Salinilactam)[H]O[C@@]1([H])\C([H])=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C(\[H])/C(=C(/[H])\C(\[H])=C(\[H])/C(/[H])=C([H])\C([H])([H])[C@]([H])(N([H])C(=O)\C([H])=C(\[H])/C(/[H])=C([H])\[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])C1([H])[H])C([H])([H])[H])/C([H])([H])[H] INCHI for NP0007111 (Salinilactam)InChI=1S/C28H39NO5/c1-21-14-8-4-6-10-17-23(3)29-26(32)19-13-12-16-22(2)27(33)28(34)25(31)20-24(30)18-11-7-5-9-15-21/h4-16,18-19,22-25,27-28,30-31,33-34H,17,20H2,1-3H3,(H,29,32)/b7-5-,8-4-,10-6-,15-9-,16-12-,18-11-,19-13-,21-14-/t22-,23-,24+,25+,27-,28-/m1/s1 3D Structure for NP0007111 (Salinilactam) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C28H39NO5 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 469.6220 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 469.28282 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (3Z,5Z,7R,8R,9R,10S,12R,13Z,15Z,17Z,19Z,21Z,23Z,26R)-8,9,10,12-tetrahydroxy-7,19,26-trimethyl-1-azacyclohexacosa-3,5,13,15,17,19,21,23-octaen-2-one | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (3Z,5Z,7R,8R,9R,10S,12R,13Z,15Z,17Z,19Z,21Z,23Z,26R)-8,9,10,12-tetrahydroxy-7,19,26-trimethyl-1-azacyclohexacosa-3,5,13,15,17,19,21,23-octaen-2-one | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC1C\C=C/C=C\C=C(\C)/C=C\C=C/C=C\[C@H](O)C[C@H](O)C(O)[C@H](O)C(C)\C=C/C=C\C(=O)N1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C28H39NO5/c1-21-14-8-4-6-10-17-23(3)29-26(32)19-13-12-16-22(2)27(33)28(34)25(31)20-24(30)18-11-7-5-9-15-21/h4-16,18-19,22-25,27-28,30-31,33-34H,17,20H2,1-3H3,(H,29,32)/b7-5-,8-4-,10-6-,15-9-,16-12-,18-11-,19-13-,21-14-/t22?,23?,24-,25-,27+,28?/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | INFZKNGDHJIHQW-QCELWQDSSA-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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
External Links | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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