Showing NP-Card for Panamycin 607 (NP0139011)
Record Information | ||||||||||||||||
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Version | 1.0 | |||||||||||||||
Created at | 2022-06-29 19:35:39 UTC | |||||||||||||||
Updated at | 2022-06-29 19:35:39 UTC | |||||||||||||||
NP-MRD ID | NP0139011 | |||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||
Natural Product Identification | ||||||||||||||||
Common Name | Panamycin 607 | |||||||||||||||
Description | Not Available | |||||||||||||||
Structure | MOL for NP0139011 (Panamycin 607)Mrv1652306292221352D 43 46 0 0 1 0 999 V2000 7.3668 3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9968 2.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4503 1.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0803 1.1987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7313 0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1388 -0.0254 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3378 -0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2781 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0422 -1.3568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5742 -0.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5150 -2.2905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7976 -2.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0574 -3.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9790 -2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1836 -2.5809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5326 -2.0741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1251 -1.3568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3609 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4206 -0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2216 -0.0254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6570 -0.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7489 0.9082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4663 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2065 2.0988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2849 1.4177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1648 1.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9085 -2.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8135 -3.3183 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9900 -3.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2671 -4.0074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0912 -4.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3096 -4.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6205 -5.2947 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9762 -4.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5824 -6.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8496 -6.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8115 -7.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0787 -7.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0405 -8.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1549 -6.0527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4222 -6.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1931 -5.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0991 -2.8731 0.0000 C 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 4 3 1 1 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 1 0 0 0 6 10 1 1 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 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 17 21 1 6 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 4 25 1 0 0 0 0 22 26 1 1 0 0 0 16 27 1 6 0 0 0 15 28 1 1 0 0 0 28 29 1 1 0 0 0 30 28 1 1 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 1 0 0 0 0 30 34 1 0 0 0 0 33 35 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 36 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 11 43 1 6 0 0 0 M END 3D MOL for NP0139011 (Panamycin 607)RDKit 3D 104107 0 0 0 0 0 0 0 0999 V2000 8.7926 -1.2511 1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1412 -0.2357 2.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4638 0.8927 1.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3360 0.4298 0.7577 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7927 1.7205 0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5741 2.2324 0.8404 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8628 1.2240 1.7037 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4949 1.9078 1.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4336 2.8179 0.7118 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5630 2.5699 -0.0659 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1345 2.6078 -0.0343 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4803 3.9982 -0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2238 1.6704 0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 2.2850 1.6913 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0236 0.4399 0.3088 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1671 -0.5400 -0.5528 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6052 -0.5107 -1.0979 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8574 0.7746 -1.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6591 -0.6884 -0.0639 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7556 0.3822 0.9693 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2184 0.2470 1.4254 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8017 -0.5105 0.2785 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0907 0.1965 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0897 0.2250 0.9237 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3818 0.9021 0.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2457 0.4232 -0.4483 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6782 0.4741 -1.8417 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2449 -1.0610 1.5701 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8896 -0.9978 2.8528 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7761 -2.1080 0.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8921 -0.5833 -0.7329 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6837 -0.6965 -1.7827 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3317 -2.0707 -2.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1378 -0.6128 -1.6263 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7641 -0.6723 -3.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9533 -1.6174 -2.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0816 -1.4084 -1.3018 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7337 -1.7105 -0.9469 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0974 -2.1784 -0.5802 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0956 -3.6536 -0.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4218 -1.5596 -0.7448 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2346 -2.1974 -1.5041 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8913 -0.4094 -0.2006 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7787 -1.6025 1.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2017 -2.1870 1.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0468 -0.8861 0.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9735 0.2451 2.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4829 -0.6990 3.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1085 1.6547 2.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2710 1.3911 1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6009 -0.1155 1.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5566 2.5294 0.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5575 1.5894 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8309 3.0953 1.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3537 1.0879 2.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6624 0.2858 1.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6972 1.1531 1.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5034 2.5273 2.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5442 3.8980 1.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3896 2.2840 -1.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2028 4.6824 -0.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4707 3.8940 -0.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2139 4.2675 0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1293 -1.6004 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7475 -1.3457 -1.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9249 0.5420 -2.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9577 1.4371 -1.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7730 1.2934 -1.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5856 -1.6600 0.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0728 0.2065 1.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 1.4103 0.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1955 -0.4030 2.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6552 1.2466 1.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0786 -1.5479 0.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7946 1.1996 -0.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4159 -0.3839 -1.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6100 0.8672 1.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9886 0.8052 1.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1600 1.9894 0.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7391 -0.5584 -0.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1410 1.1347 -0.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4175 -0.5226 -2.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8807 1.2308 -1.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4771 0.8824 -2.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4988 -1.8028 3.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5751 -0.0343 3.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9934 -1.0355 2.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7936 -1.9141 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2592 -3.0969 0.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8246 -2.3020 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2717 0.0337 -2.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2686 -2.5470 -2.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0987 -2.7186 -1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3681 -2.0015 -3.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5267 0.2541 -1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0988 -1.0667 -3.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2183 0.2968 -3.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8346 -1.2925 -3.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6398 -2.6510 -2.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1741 -0.3318 -1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8598 -2.0876 0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3074 -4.1753 -0.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9539 -3.9108 -1.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0698 -4.0818 -0.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 27 26 1 0 26 25 1 0 25 24 1 0 24 23 1 0 23 22 1 0 22 21 1 0 21 20 1 0 20 19 1 0 19 31 1 0 19 17 1 0 17 18 1 0 17 16 1 0 16 15 1 0 15 13 1 0 13 14 2 0 13 11 1 0 11 12 1 0 11 9 1 0 9 8 1 0 8 7 1 0 7 6 1 0 6 5 1 0 5 4 1 0 4 3 1 0 3 2 1 0 2 1 1 0 4 43 1 0 43 41 1 0 41 42 2 0 41 39 1 0 39 40 1 0 39 37 1 0 37 36 1 0 36 35 1 0 35 34 1 0 34 38 1 0 34 32 1 0 32 33 1 0 6 10 1 0 24 28 1 0 28 29 1 0 28 30 1 0 31 22 1 0 32 16 1 0 10 9 1 0 38 37 1 0 27 82 1 0 27 83 1 0 27 84 1 0 26 80 1 0 26 81 1 0 25 78 1 0 25 79 1 0 24 77 1 1 23 75 1 0 23 76 1 0 22 74 1 1 21 72 1 0 21 73 1 0 20 70 1 0 20 71 1 0 19 69 1 1 17 65 1 6 18 66 1 0 18 67 1 0 18 68 1 0 16 64 1 1 11 60 1 6 12 61 1 0 12 62 1 0 12 63 1 0 9 59 1 1 8 57 1 0 8 58 1 0 7 55 1 0 7 56 1 0 6 54 1 1 5 52 1 0 5 53 1 0 4 51 1 1 3 49 1 0 3 50 1 0 2 47 1 0 2 48 1 0 1 44 1 0 1 45 1 0 1 46 1 0 39101 1 1 40102 1 0 40103 1 0 40104 1 0 37100 1 6 36 98 1 0 36 99 1 0 35 96 1 0 35 97 1 0 34 95 1 1 32 91 1 6 33 92 1 0 33 93 1 0 33 94 1 0 29 85 1 0 29 86 1 0 29 87 1 0 30 88 1 0 30 89 1 0 30 90 1 0 M END 3D SDF for NP0139011 (Panamycin 607)Mrv1652306292221352D 43 46 0 0 1 0 999 V2000 7.3668 3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9968 2.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4503 1.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0803 1.1987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7313 0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1388 -0.0254 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3378 -0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2781 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0422 -1.3568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5742 -0.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5150 -2.2905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7976 -2.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0574 -3.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9790 -2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1836 -2.5809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5326 -2.0741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1251 -1.3568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3609 -1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4206 -0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2216 -0.0254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6570 -0.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7489 0.9082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4663 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2065 2.0988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2849 1.4177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1648 1.4909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9085 -2.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8135 -3.3183 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9900 -3.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2671 -4.0074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0912 -4.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3096 -4.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6205 -5.2947 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9762 -4.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5824 -6.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8496 -6.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8115 -7.3219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0787 -7.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0405 -8.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1549 -6.0527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4222 -6.4318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1931 -5.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0991 -2.8731 0.0000 C 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 4 3 1 1 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 1 0 0 0 6 10 1 1 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 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 17 21 1 6 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 4 25 1 0 0 0 0 22 26 1 1 0 0 0 16 27 1 6 0 0 0 15 28 1 1 0 0 0 28 29 1 1 0 0 0 30 28 1 1 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 1 0 0 0 0 30 34 1 0 0 0 0 33 35 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 36 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 11 43 1 6 0 0 0 M END > <DATABASE_ID> NP0139011 > <DATABASE_NAME> NP-MRD > <SMILES> CCCC(C[C@@H]1CC[C@@H](O1)[C@@H](C)[C@@H]1OC(=O)[C@@H](C)[C@H]2CC[C@@H](C[C@H](CCC)OC(=O)[C@H](C)[C@H]3CC[C@H](O3)[C@H]1C)O2)N(C)C > <INCHI_IDENTIFIER> InChI=1S/C35H61NO7/c1-9-11-25(36(7)8)19-27-13-15-29(39-27)21(3)33-22(4)30-17-18-32(42-30)24(6)34(37)41-26(12-10-2)20-28-14-16-31(40-28)23(5)35(38)43-33/h21-33H,9-20H2,1-8H3/t21-,22-,23+,24-,25?,26+,27+,28+,29-,30+,31-,32-,33+/m1/s1 > <INCHI_KEY> AHOIPAFUOXGGQB-YSWOBQKZSA-N > <FORMULA> C35H61NO7 > <MOLECULAR_WEIGHT> 607.873 > <EXACT_MASS> 607.444803308 > <JCHEM_ACCEPTOR_COUNT> 6 > <JCHEM_ATOM_COUNT> 104 > <JCHEM_AVERAGE_POLARIZABILITY> 71.07974530256288 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 0 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (1R,2S,5S,6R,7S,10R,11R,14S,16S)-5-[(1R)-1-[(2R,5S)-5-[2-(dimethylamino)pentyl]oxolan-2-yl]ethyl]-2,6,11-trimethyl-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.1^{7,10}]icosane-3,12-dione > <ALOGPS_LOGP> 5.75 > <JCHEM_LOGP> 6.287050889333333 > <ALOGPS_LOGS> -5.99 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 4 > <JCHEM_PHYSIOLOGICAL_CHARGE> 1 > <JCHEM_PKA_STRONGEST_BASIC> 10.00091040414133 > <JCHEM_POLAR_SURFACE_AREA> 83.53 > <JCHEM_REFRACTIVITY> 167.10119999999998 > <JCHEM_ROTATABLE_BOND_COUNT> 9 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 6.23e-04 g/l > <JCHEM_TRADITIONAL_IUPAC> (1R,2S,5S,6R,7S,10R,11R,14S,16S)-5-[(1R)-1-[(2R,5S)-5-[2-(dimethylamino)pentyl]oxolan-2-yl]ethyl]-2,6,11-trimethyl-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.1^{7,10}]icosane-3,12-dione > <JCHEM_VEBER_RULE> 0 $$$$ PDB for NP0139011 (Panamycin 607)HEADER PROTEIN 29-JUN-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 29-JUN-22 0 HETATM 1 C UNK 0 13.751 6.277 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 13.061 4.900 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 13.907 3.614 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 13.217 2.238 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 14.432 1.292 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 15.192 -0.047 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 13.697 -0.416 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 13.586 -1.952 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 15.012 -2.533 0.000 0.00 0.00 C+0 HETATM 10 O UNK 0 16.005 -1.356 0.000 0.00 0.00 O+0 HETATM 11 C UNK 0 14.028 -4.276 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 12.689 -5.036 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 13.174 -6.498 0.000 0.00 0.00 O+0 HETATM 14 O UNK 0 11.161 -5.227 0.000 0.00 0.00 O+0 HETATM 15 C UNK 0 9.676 -4.818 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 8.461 -3.872 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 7.700 -2.533 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 6.274 -1.952 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 6.385 -0.416 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 7.880 -0.047 0.000 0.00 0.00 C+0 HETATM 21 O UNK 0 8.693 -1.356 0.000 0.00 0.00 O+0 HETATM 22 C UNK 0 8.865 1.695 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 10.204 2.456 0.000 0.00 0.00 C+0 HETATM 24 O UNK 0 9.719 3.918 0.000 0.00 0.00 O+0 HETATM 25 O UNK 0 11.732 2.646 0.000 0.00 0.00 O+0 HETATM 26 C UNK 0 7.774 2.783 0.000 0.00 0.00 C+0 HETATM 27 C UNK 0 7.296 -4.879 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 8.985 -6.194 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 7.448 -6.284 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 9.832 -7.481 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 11.370 -7.552 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 11.778 -9.037 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 10.492 -9.883 0.000 0.00 0.00 C+0 HETATM 34 O UNK 0 9.289 -8.922 0.000 0.00 0.00 O+0 HETATM 35 C UNK 0 10.420 -11.422 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 9.053 -12.129 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 8.981 -13.668 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 7.614 -14.375 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 7.542 -15.914 0.000 0.00 0.00 C+0 HETATM 40 N UNK 0 7.756 -11.298 0.000 0.00 0.00 N+0 HETATM 41 C UNK 0 6.388 -12.006 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 7.827 -9.760 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 15.118 -5.363 0.000 0.00 0.00 C+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 CONECT 4 3 5 25 CONECT 5 4 6 CONECT 6 5 7 10 CONECT 7 6 8 CONECT 8 7 9 CONECT 9 8 10 11 CONECT 10 9 6 CONECT 11 9 12 43 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 15 CONECT 15 14 16 28 CONECT 16 15 17 27 CONECT 17 16 18 21 CONECT 18 17 19 CONECT 19 18 20 CONECT 20 19 21 22 CONECT 21 20 17 CONECT 22 20 23 26 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 4 CONECT 26 22 CONECT 27 16 CONECT 28 15 29 30 CONECT 29 28 CONECT 30 28 31 34 CONECT 31 30 32 CONECT 32 31 33 CONECT 33 32 34 35 CONECT 34 33 30 CONECT 35 33 36 CONECT 36 35 37 40 CONECT 37 36 38 CONECT 38 37 39 CONECT 39 38 CONECT 40 36 41 42 CONECT 41 40 CONECT 42 40 CONECT 43 11 MASTER 0 0 0 0 0 0 0 0 43 0 92 0 END SMILES for NP0139011 (Panamycin 607)CCCC(C[C@@H]1CC[C@@H](O1)[C@@H](C)[C@@H]1OC(=O)[C@@H](C)[C@H]2CC[C@@H](C[C@H](CCC)OC(=O)[C@H](C)[C@H]3CC[C@H](O3)[C@H]1C)O2)N(C)C INCHI for NP0139011 (Panamycin 607)InChI=1S/C35H61NO7/c1-9-11-25(36(7)8)19-27-13-15-29(39-27)21(3)33-22(4)30-17-18-32(42-30)24(6)34(37)41-26(12-10-2)20-28-14-16-31(40-28)23(5)35(38)43-33/h21-33H,9-20H2,1-8H3/t21-,22-,23+,24-,25?,26+,27+,28+,29-,30+,31-,32-,33+/m1/s1 3D Structure for NP0139011 (Panamycin 607) | |||||||||||||||
Synonyms | Not Available | |||||||||||||||
Chemical Formula | C35H61NO7 | |||||||||||||||
Average Mass | 607.8730 Da | |||||||||||||||
Monoisotopic Mass | 607.44480 Da | |||||||||||||||
IUPAC Name | Not Available | |||||||||||||||
Traditional Name | Not Available | |||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||
SMILES | CCCC(C[C@@H]1CC[C@@H](O1)[C@@H](C)[C@@H]1OC(=O)[C@@H](C)[C@H]2CC[C@@H](C[C@H](CCC)OC(=O)[C@H](C)[C@H]3CC[C@H](O3)[C@H]1C)O2)N(C)C | |||||||||||||||
InChI Identifier | InChI=1S/C35H61NO7/c1-9-11-25(36(7)8)19-27-13-15-29(39-27)21(3)33-22(4)30-17-18-32(42-30)24(6)34(37)41-26(12-10-2)20-28-14-16-31(40-28)23(5)35(38)43-33/h21-33H,9-20H2,1-8H3/t21-,22-,23+,24-,25?,26+,27+,28+,29-,30+,31-,32-,33+/m1/s1 | |||||||||||||||
InChI Key | AHOIPAFUOXGGQB-YSWOBQKZSA-N | |||||||||||||||
Experimental Spectra | ||||||||||||||||
Not Available | ||||||||||||||||
Predicted Spectra | ||||||||||||||||
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Chemical Shift Submissions | ||||||||||||||||
Not Available | ||||||||||||||||
Species | ||||||||||||||||
Species of Origin | Not Available | |||||||||||||||
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 | Not Available |