Showing NP-Card for Incednam (NP0007509)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2020-12-09 04:22:24 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 16:57:47 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0007509 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Incednam | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Incednam is found in Streptomyces sp. It was first documented in 2008 (PMID: 18205364). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0007509 (Incednam)Mrv1652306242118413D 73 73 0 0 0 0 999 V2000 -5.2865 3.7482 -1.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0261 3.2894 -1.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5278 1.9632 -1.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3908 1.1827 -0.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6074 -0.1007 0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9304 -0.8519 -0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8388 -0.8139 0.9276 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5425 -0.3968 1.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3658 -0.6311 0.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -1.3565 -0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 -2.5691 -0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1022 -3.4369 0.6645 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5940 -3.0413 2.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5751 -4.7268 0.4216 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4203 -3.5832 0.7632 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6488 -4.7195 1.6181 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0622 -3.9392 -0.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2724 -3.6230 -0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2949 -2.8684 -0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6302 -1.5630 -0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9872 -0.6197 -1.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6097 -0.2445 -2.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8818 0.1138 -1.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1438 0.1183 0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0641 1.0758 1.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6698 2.3764 1.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7534 2.6812 2.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2515 3.3629 0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1848 3.3039 -0.6584 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2329 3.1893 -0.1860 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3413 3.2063 1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8888 2.0767 -0.8543 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1293 1.8831 -1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9311 1.5146 -2.7145 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4503 3.7831 -0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3376 4.8120 -1.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0985 3.1562 -1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4076 1.7770 -0.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2299 -0.6633 -1.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8146 -1.9247 -0.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6917 -0.5261 0.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2394 -1.7875 1.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4351 0.1338 2.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5605 -0.0667 1.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1323 -0.9174 -1.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -2.9902 -1.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1183 -2.1547 2.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 -3.8914 2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6951 -3.0611 2.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9913 -5.1494 1.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7945 -2.7568 1.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -5.4143 1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4172 -4.5474 -1.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4876 -4.1393 -1.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0075 -3.3831 0.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5247 -1.1894 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4003 0.8109 -2.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2188 -0.8988 -3.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7007 -0.2909 -2.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5346 0.6585 -1.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4637 -0.7243 0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 0.7591 2.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6149 2.1708 3.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8171 3.7622 2.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7702 2.4116 1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8053 4.3228 0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 4.2490 -1.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3062 2.5083 -1.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7521 4.1470 -0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0797 3.9625 1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6389 3.5922 1.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 2.2249 1.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2016 1.2345 -0.9222 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 6 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 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 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 3 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 4 38 1 0 0 0 0 6 39 1 0 0 0 0 6 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 9 44 1 0 0 0 0 10 45 1 0 0 0 0 11 46 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 50 1 0 0 0 0 15 51 1 1 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 60 1 0 0 0 0 24 61 1 0 0 0 0 25 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 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 6 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 32 73 1 0 0 0 0 M END 3D MOL for NP0007509 (Incednam)RDKit 3D 73 73 0 0 0 0 0 0 0 0999 V2000 -5.2865 3.7482 -1.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0261 3.2894 -1.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5278 1.9632 -1.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3908 1.1827 -0.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6074 -0.1007 0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9304 -0.8519 -0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8388 -0.8139 0.9276 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5425 -0.3968 1.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3658 -0.6311 0.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -1.3565 -0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 -2.5691 -0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1022 -3.4369 0.6645 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5940 -3.0413 2.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5751 -4.7268 0.4216 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4203 -3.5832 0.7632 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6488 -4.7195 1.6181 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0622 -3.9392 -0.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2724 -3.6230 -0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2949 -2.8684 -0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6302 -1.5630 -0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9872 -0.6197 -1.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6097 -0.2445 -2.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8818 0.1138 -1.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1438 0.1183 0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0641 1.0758 1.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6698 2.3764 1.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7534 2.6812 2.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2515 3.3629 0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1848 3.3039 -0.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2329 3.1893 -0.1860 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3413 3.2063 1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8888 2.0767 -0.8543 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1293 1.8831 -1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9311 1.5146 -2.7145 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4503 3.7831 -0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3376 4.8120 -1.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0985 3.1562 -1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4076 1.7770 -0.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2299 -0.6633 -1.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8146 -1.9247 -0.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6917 -0.5261 0.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2394 -1.7875 1.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4351 0.1338 2.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5605 -0.0667 1.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1323 -0.9174 -1.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -2.9902 -1.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1183 -2.1547 2.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 -3.8914 2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6951 -3.0611 2.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9913 -5.1494 1.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7945 -2.7568 1.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -5.4143 1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4172 -4.5474 -1.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4876 -4.1393 -1.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0075 -3.3831 0.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5247 -1.1894 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4003 0.8109 -2.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2188 -0.8988 -3.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7007 -0.2909 -2.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5346 0.6585 -1.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4637 -0.7243 0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 0.7591 2.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6149 2.1708 3.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8171 3.7622 2.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7702 2.4116 1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8053 4.3228 0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 4.2490 -1.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3062 2.5083 -1.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7521 4.1470 -0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0797 3.9625 1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6389 3.5922 1.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 2.2249 1.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2016 1.2345 -0.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 5 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 1 6 12 15 1 0 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 21 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 26 28 2 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 2 0 33 3 1 0 1 35 1 0 1 36 1 0 1 37 1 0 4 38 1 0 6 39 1 0 6 40 1 0 6 41 1 0 7 42 1 0 8 43 1 0 9 44 1 0 10 45 1 0 11 46 1 0 13 47 1 0 13 48 1 0 13 49 1 0 14 50 1 0 15 51 1 1 16 52 1 0 17 53 1 0 18 54 1 0 19 55 1 0 20 56 1 0 22 57 1 0 22 58 1 0 22 59 1 0 23 60 1 0 24 61 1 0 25 62 1 0 27 63 1 0 27 64 1 0 27 65 1 0 28 66 1 0 29 67 1 0 29 68 1 0 30 69 1 6 31 70 1 0 31 71 1 0 31 72 1 0 32 73 1 0 M END 3D SDF for NP0007509 (Incednam)Mrv1652306242118413D 73 73 0 0 0 0 999 V2000 -5.2865 3.7482 -1.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0261 3.2894 -1.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5278 1.9632 -1.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3908 1.1827 -0.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6074 -0.1007 0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9304 -0.8519 -0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8388 -0.8139 0.9276 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5425 -0.3968 1.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3658 -0.6311 0.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -1.3565 -0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 -2.5691 -0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1022 -3.4369 0.6645 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5940 -3.0413 2.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5751 -4.7268 0.4216 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4203 -3.5832 0.7632 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6488 -4.7195 1.6181 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0622 -3.9392 -0.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2724 -3.6230 -0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2949 -2.8684 -0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6302 -1.5630 -0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9872 -0.6197 -1.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6097 -0.2445 -2.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8818 0.1138 -1.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1438 0.1183 0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0641 1.0758 1.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6698 2.3764 1.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7534 2.6812 2.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2515 3.3629 0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1848 3.3039 -0.6584 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2329 3.1893 -0.1860 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3413 3.2063 1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8888 2.0767 -0.8543 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1293 1.8831 -1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9311 1.5146 -2.7145 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4503 3.7831 -0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3376 4.8120 -1.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0985 3.1562 -1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4076 1.7770 -0.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2299 -0.6633 -1.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8146 -1.9247 -0.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6917 -0.5261 0.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2394 -1.7875 1.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4351 0.1338 2.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5605 -0.0667 1.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1323 -0.9174 -1.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -2.9902 -1.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1183 -2.1547 2.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 -3.8914 2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6951 -3.0611 2.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9913 -5.1494 1.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7945 -2.7568 1.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -5.4143 1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4172 -4.5474 -1.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4876 -4.1393 -1.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0075 -3.3831 0.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5247 -1.1894 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4003 0.8109 -2.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2188 -0.8988 -3.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7007 -0.2909 -2.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5346 0.6585 -1.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4637 -0.7243 0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 0.7591 2.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6149 2.1708 3.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8171 3.7622 2.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7702 2.4116 1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8053 4.3228 0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 4.2490 -1.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3062 2.5083 -1.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7521 4.1470 -0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0797 3.9625 1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6389 3.5922 1.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 2.2249 1.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2016 1.2345 -0.9222 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 6 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 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 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 3 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 4 38 1 0 0 0 0 6 39 1 0 0 0 0 6 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 9 44 1 0 0 0 0 10 45 1 0 0 0 0 11 46 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 50 1 0 0 0 0 15 51 1 1 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 60 1 0 0 0 0 24 61 1 0 0 0 0 25 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 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 6 0 0 0 31 70 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 32 73 1 0 0 0 0 M END > <DATABASE_ID> NP0007509 > <DATABASE_NAME> NP-MRD > <SMILES> [H]O[C@@]1([H])\C([H])=C(\[H])/C(/[H])=C(/[H])\C(=C(\[H])/C(/[H])=C(/[H])\C(=C([H])/C([H])([H])[C@@]([H])(N([H])C(=O)\C(OC([H])([H])[H])=C(\[H])/C(=C(/[H])\C(\[H])=C(\[H])/C(/[H])=C([H])\[C@]1(O[H])C([H])([H])[H])/C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C29H39NO4/c1-22-13-9-10-17-27(31)29(5,33)20-11-7-8-14-24(3)21-26(34-6)28(32)30-25(4)19-18-23(2)16-12-15-22/h7-18,20-21,25,27,31,33H,19H2,1-6H3,(H,30,32)/b8-7-,13-9-,16-12-,17-10-,20-11-,22-15-,23-18-,24-14-,26-21+/t25-,27-,29+/m0/s1 > <INCHI_KEY> VTLZZYINHDUOQU-NZLRBBRASA-N > <FORMULA> C29H39NO4 > <MOLECULAR_WEIGHT> 465.634 > <EXACT_MASS> 465.28790874 > <JCHEM_ACCEPTOR_COUNT> 4 > <JCHEM_ATOM_COUNT> 73 > <JCHEM_AVERAGE_POLARIZABILITY> 53.68865216030832 > <JCHEM_BIOAVAILABILITY> 1 > <JCHEM_DONOR_COUNT> 3 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (3E,5Z,7Z,9Z,11R,12S,13Z,15Z,17Z,19Z,21Z,24S)-11,12-dihydroxy-3-methoxy-5,11,17,21,24-pentamethyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one > <ALOGPS_LOGP> 5.29 > <JCHEM_LOGP> 3.841243575 > <ALOGPS_LOGS> -5.20 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 1 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 14.609649615730099 > <JCHEM_PKA_STRONGEST_ACIDIC> 13.283865166940931 > <JCHEM_PKA_STRONGEST_BASIC> -0.5633582604495563 > <JCHEM_POLAR_SURFACE_AREA> 78.78999999999999 > <JCHEM_REFRACTIVITY> 151.04760000000002 > <JCHEM_ROTATABLE_BOND_COUNT> 1 > <JCHEM_RULE_OF_FIVE> 1 > <ALOGPS_SOLUBILITY> 2.97e-03 g/l > <JCHEM_TRADITIONAL_IUPAC> (3E,5Z,7Z,9Z,11R,12S,13Z,15Z,17Z,19Z,21Z,24S)-11,12-dihydroxy-3-methoxy-5,11,17,21,24-pentamethyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0007509 (Incednam)RDKit 3D 73 73 0 0 0 0 0 0 0 0999 V2000 -5.2865 3.7482 -1.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0261 3.2894 -1.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5278 1.9632 -1.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3908 1.1827 -0.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6074 -0.1007 0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9304 -0.8519 -0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8388 -0.8139 0.9276 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5425 -0.3968 1.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3658 -0.6311 0.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -1.3565 -0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 -2.5691 -0.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1022 -3.4369 0.6645 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5940 -3.0413 2.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5751 -4.7268 0.4216 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4203 -3.5832 0.7632 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6488 -4.7195 1.6181 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0622 -3.9392 -0.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2724 -3.6230 -0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2949 -2.8684 -0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6302 -1.5630 -0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9872 -0.6197 -1.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6097 -0.2445 -2.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8818 0.1138 -1.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1438 0.1183 0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0641 1.0758 1.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6698 2.3764 1.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7534 2.6812 2.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2515 3.3629 0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1848 3.3039 -0.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2329 3.1893 -0.1860 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3413 3.2063 1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8888 2.0767 -0.8543 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1293 1.8831 -1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9311 1.5146 -2.7145 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4503 3.7831 -0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3376 4.8120 -1.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0985 3.1562 -1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4076 1.7770 -0.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2299 -0.6633 -1.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8146 -1.9247 -0.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6917 -0.5261 0.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2394 -1.7875 1.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4351 0.1338 2.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5605 -0.0667 1.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1323 -0.9174 -1.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -2.9902 -1.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1183 -2.1547 2.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 -3.8914 2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6951 -3.0611 2.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9913 -5.1494 1.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7945 -2.7568 1.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -5.4143 1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4172 -4.5474 -1.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4876 -4.1393 -1.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0075 -3.3831 0.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5247 -1.1894 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4003 0.8109 -2.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2188 -0.8988 -3.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7007 -0.2909 -2.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5346 0.6585 -1.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4637 -0.7243 0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 0.7591 2.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6149 2.1708 3.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8171 3.7622 2.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7702 2.4116 1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8053 4.3228 0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 4.2490 -1.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3062 2.5083 -1.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7521 4.1470 -0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0797 3.9625 1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6389 3.5922 1.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 2.2249 1.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2016 1.2345 -0.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 5 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 1 6 12 15 1 0 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 21 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 26 28 2 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 2 0 33 3 1 0 1 35 1 0 1 36 1 0 1 37 1 0 4 38 1 0 6 39 1 0 6 40 1 0 6 41 1 0 7 42 1 0 8 43 1 0 9 44 1 0 10 45 1 0 11 46 1 0 13 47 1 0 13 48 1 0 13 49 1 0 14 50 1 0 15 51 1 1 16 52 1 0 17 53 1 0 18 54 1 0 19 55 1 0 20 56 1 0 22 57 1 0 22 58 1 0 22 59 1 0 23 60 1 0 24 61 1 0 25 62 1 0 27 63 1 0 27 64 1 0 27 65 1 0 28 66 1 0 29 67 1 0 29 68 1 0 30 69 1 6 31 70 1 0 31 71 1 0 31 72 1 0 32 73 1 0 M END PDB for NP0007509 (Incednam)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 -5.287 3.748 -1.232 0.00 0.00 C+0 HETATM 2 O UNK 0 -4.026 3.289 -1.494 0.00 0.00 O+0 HETATM 3 C UNK 0 -3.528 1.963 -1.070 0.00 0.00 C+0 HETATM 4 C UNK 0 -4.391 1.183 -0.495 0.00 0.00 C+0 HETATM 5 C UNK 0 -4.607 -0.101 0.107 0.00 0.00 C+0 HETATM 6 C UNK 0 -5.930 -0.852 -0.201 0.00 0.00 C+0 HETATM 7 C UNK 0 -3.839 -0.814 0.928 0.00 0.00 C+0 HETATM 8 C UNK 0 -2.543 -0.397 1.391 0.00 0.00 C+0 HETATM 9 C UNK 0 -1.366 -0.631 0.830 0.00 0.00 C+0 HETATM 10 C UNK 0 -1.029 -1.357 -0.358 0.00 0.00 C+0 HETATM 11 C UNK 0 -0.486 -2.569 -0.421 0.00 0.00 C+0 HETATM 12 C UNK 0 -0.102 -3.437 0.665 0.00 0.00 C+0 HETATM 13 C UNK 0 -0.594 -3.041 2.031 0.00 0.00 C+0 HETATM 14 O UNK 0 -0.575 -4.727 0.422 0.00 0.00 O+0 HETATM 15 C UNK 0 1.420 -3.583 0.763 0.00 0.00 C+0 HETATM 16 O UNK 0 1.649 -4.720 1.618 0.00 0.00 O+0 HETATM 17 C UNK 0 2.062 -3.939 -0.488 0.00 0.00 C+0 HETATM 18 C UNK 0 3.272 -3.623 -0.882 0.00 0.00 C+0 HETATM 19 C UNK 0 4.295 -2.868 -0.260 0.00 0.00 C+0 HETATM 20 C UNK 0 4.630 -1.563 -0.433 0.00 0.00 C+0 HETATM 21 C UNK 0 3.987 -0.620 -1.319 0.00 0.00 C+0 HETATM 22 C UNK 0 4.610 -0.245 -2.666 0.00 0.00 C+0 HETATM 23 C UNK 0 2.882 0.114 -1.043 0.00 0.00 C+0 HETATM 24 C UNK 0 2.144 0.118 0.186 0.00 0.00 C+0 HETATM 25 C UNK 0 2.064 1.076 1.099 0.00 0.00 C+0 HETATM 26 C UNK 0 2.670 2.376 1.123 0.00 0.00 C+0 HETATM 27 C UNK 0 3.753 2.681 2.081 0.00 0.00 C+0 HETATM 28 C UNK 0 2.252 3.363 0.317 0.00 0.00 C+0 HETATM 29 C UNK 0 1.185 3.304 -0.658 0.00 0.00 C+0 HETATM 30 C UNK 0 -0.233 3.189 -0.186 0.00 0.00 C+0 HETATM 31 C UNK 0 -0.341 3.206 1.292 0.00 0.00 C+0 HETATM 32 N UNK 0 -0.889 2.077 -0.854 0.00 0.00 N+0 HETATM 33 C UNK 0 -2.129 1.883 -1.433 0.00 0.00 C+0 HETATM 34 O UNK 0 -1.931 1.515 -2.715 0.00 0.00 O+0 HETATM 35 H UNK 0 -5.450 3.783 -0.117 0.00 0.00 H+0 HETATM 36 H UNK 0 -5.338 4.812 -1.618 0.00 0.00 H+0 HETATM 37 H UNK 0 -6.098 3.156 -1.725 0.00 0.00 H+0 HETATM 38 H UNK 0 -5.408 1.777 -0.417 0.00 0.00 H+0 HETATM 39 H UNK 0 -6.230 -0.663 -1.250 0.00 0.00 H+0 HETATM 40 H UNK 0 -5.815 -1.925 -0.104 0.00 0.00 H+0 HETATM 41 H UNK 0 -6.692 -0.526 0.539 0.00 0.00 H+0 HETATM 42 H UNK 0 -4.239 -1.788 1.335 0.00 0.00 H+0 HETATM 43 H UNK 0 -2.435 0.134 2.365 0.00 0.00 H+0 HETATM 44 H UNK 0 -0.561 -0.067 1.368 0.00 0.00 H+0 HETATM 45 H UNK 0 -1.132 -0.917 -1.377 0.00 0.00 H+0 HETATM 46 H UNK 0 -0.304 -2.990 -1.436 0.00 0.00 H+0 HETATM 47 H UNK 0 -0.118 -2.155 2.450 0.00 0.00 H+0 HETATM 48 H UNK 0 -0.287 -3.891 2.716 0.00 0.00 H+0 HETATM 49 H UNK 0 -1.695 -3.061 2.079 0.00 0.00 H+0 HETATM 50 H UNK 0 -0.991 -5.149 1.189 0.00 0.00 H+0 HETATM 51 H UNK 0 1.795 -2.757 1.339 0.00 0.00 H+0 HETATM 52 H UNK 0 1.026 -5.414 1.354 0.00 0.00 H+0 HETATM 53 H UNK 0 1.417 -4.547 -1.168 0.00 0.00 H+0 HETATM 54 H UNK 0 3.488 -4.139 -1.887 0.00 0.00 H+0 HETATM 55 H UNK 0 5.008 -3.383 0.451 0.00 0.00 H+0 HETATM 56 H UNK 0 5.525 -1.189 0.121 0.00 0.00 H+0 HETATM 57 H UNK 0 4.400 0.811 -2.923 0.00 0.00 H+0 HETATM 58 H UNK 0 4.219 -0.899 -3.440 0.00 0.00 H+0 HETATM 59 H UNK 0 5.701 -0.291 -2.509 0.00 0.00 H+0 HETATM 60 H UNK 0 2.535 0.659 -1.954 0.00 0.00 H+0 HETATM 61 H UNK 0 1.464 -0.724 0.429 0.00 0.00 H+0 HETATM 62 H UNK 0 1.468 0.759 2.019 0.00 0.00 H+0 HETATM 63 H UNK 0 3.615 2.171 3.067 0.00 0.00 H+0 HETATM 64 H UNK 0 3.817 3.762 2.320 0.00 0.00 H+0 HETATM 65 H UNK 0 4.770 2.412 1.714 0.00 0.00 H+0 HETATM 66 H UNK 0 2.805 4.323 0.431 0.00 0.00 H+0 HETATM 67 H UNK 0 1.283 4.249 -1.291 0.00 0.00 H+0 HETATM 68 H UNK 0 1.306 2.508 -1.429 0.00 0.00 H+0 HETATM 69 H UNK 0 -0.752 4.147 -0.532 0.00 0.00 H+0 HETATM 70 H UNK 0 -1.080 3.962 1.667 0.00 0.00 H+0 HETATM 71 H UNK 0 0.639 3.592 1.704 0.00 0.00 H+0 HETATM 72 H UNK 0 -0.502 2.225 1.724 0.00 0.00 H+0 HETATM 73 H UNK 0 -0.202 1.234 -0.922 0.00 0.00 H+0 CONECT 1 2 35 36 37 CONECT 2 1 3 CONECT 3 2 4 33 CONECT 4 3 5 38 CONECT 5 4 6 7 CONECT 6 5 39 40 41 CONECT 7 5 8 42 CONECT 8 7 9 43 CONECT 9 8 10 44 CONECT 10 9 11 45 CONECT 11 10 12 46 CONECT 12 11 13 14 15 CONECT 13 12 47 48 49 CONECT 14 12 50 CONECT 15 12 16 17 51 CONECT 16 15 52 CONECT 17 15 18 53 CONECT 18 17 19 54 CONECT 19 18 20 55 CONECT 20 19 21 56 CONECT 21 20 22 23 CONECT 22 21 57 58 59 CONECT 23 21 24 60 CONECT 24 23 25 61 CONECT 25 24 26 62 CONECT 26 25 27 28 CONECT 27 26 63 64 65 CONECT 28 26 29 66 CONECT 29 28 30 67 68 CONECT 30 29 31 32 69 CONECT 31 30 70 71 72 CONECT 32 30 33 73 CONECT 33 32 34 3 CONECT 34 33 CONECT 35 1 CONECT 36 1 CONECT 37 1 CONECT 38 4 CONECT 39 6 CONECT 40 6 CONECT 41 6 CONECT 42 7 CONECT 43 8 CONECT 44 9 CONECT 45 10 CONECT 46 11 CONECT 47 13 CONECT 48 13 CONECT 49 13 CONECT 50 14 CONECT 51 15 CONECT 52 16 CONECT 53 17 CONECT 54 18 CONECT 55 19 CONECT 56 20 CONECT 57 22 CONECT 58 22 CONECT 59 22 CONECT 60 23 CONECT 61 24 CONECT 62 25 CONECT 63 27 CONECT 64 27 CONECT 65 27 CONECT 66 28 CONECT 67 29 CONECT 68 29 CONECT 69 30 CONECT 70 31 CONECT 71 31 CONECT 72 31 CONECT 73 32 MASTER 0 0 0 0 0 0 0 0 73 0 146 0 END SMILES for NP0007509 (Incednam)[H]O[C@@]1([H])\C([H])=C(\[H])/C(/[H])=C(/[H])\C(=C(\[H])/C(/[H])=C(/[H])\C(=C([H])/C([H])([H])[C@@]([H])(N([H])C(=O)\C(OC([H])([H])[H])=C(\[H])/C(=C(/[H])\C(\[H])=C(\[H])/C(/[H])=C([H])\[C@]1(O[H])C([H])([H])[H])/C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H] INCHI for NP0007509 (Incednam)InChI=1S/C29H39NO4/c1-22-13-9-10-17-27(31)29(5,33)20-11-7-8-14-24(3)21-26(34-6)28(32)30-25(4)19-18-23(2)16-12-15-22/h7-18,20-21,25,27,31,33H,19H2,1-6H3,(H,30,32)/b8-7-,13-9-,16-12-,17-10-,20-11-,22-15-,23-18-,24-14-,26-21+/t25-,27-,29+/m0/s1 3D Structure for NP0007509 (Incednam) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C29H39NO4 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 465.6340 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 465.28791 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (3E,5Z,7Z,9Z,11R,12S,13Z,15Z,17Z,19Z,21Z,24S)-11,12-dihydroxy-3-methoxy-5,11,17,21,24-pentamethyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (3E,5Z,7Z,9Z,11R,12S,13Z,15Z,17Z,19Z,21Z,24S)-11,12-dihydroxy-3-methoxy-5,11,17,21,24-pentamethyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CO\C1=C\C(\C)=C/C=C\C=C/[C@@](C)(O)[C@@H](O)\C=C/C=C\C(\C)=C/C=C\C(\C)=C/C[C@H](C)NC1=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C29H39NO4/c1-22-13-9-10-17-27(31)29(5,33)20-11-7-8-14-24(3)21-26(34-6)28(32)30-25(4)19-18-23(2)16-12-15-22/h7-18,20-21,25,27,31,33H,19H2,1-6H3,(H,30,32)/b8-7-,13-9-,16-12-,17-10-,20-11-,22-15-,23-18-,24-14-,26-21+/t25-,27-,29+/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | VTLZZYINHDUOQU-NZLRBBRASA-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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