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Showing NP-Card for Piperazimycin A (NP0006824)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2020-12-09 03:45:02 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 16:55:54 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0006824 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Piperazimycin A | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Sohbumycin is also known as piperazimycin a. Piperazimycin A is found in Streptomyces sp. It was first documented in 2002 (PMID: 28267306). Based on a literature review very few articles have been published on Sohbumycin (PMID: 17221946) (PMID: 26389440) (PMID: 26389428) (PMID: 26389376). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0006824 (Piperazimycin A)Mrv1652307012119073D 97100 0 0 0 0 999 V2000 -7.4185 0.7778 -2.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7670 0.7776 -1.1155 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.2314 2.1170 -0.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6545 0.2091 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4737 -0.0814 -0.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4276 -0.6323 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2275 -0.9391 -0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1654 -1.5047 0.4624 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9706 -0.5660 0.4569 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1022 -1.0461 1.2943 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3286 -2.2720 1.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -2.2516 3.1691 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4507 -3.6291 1.3527 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5973 -4.4340 2.0962 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9129 -5.7617 1.5310 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1592 -6.1656 2.0309 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1152 -5.5711 0.0280 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1467 -5.1541 -0.4780 N 0 0 1 0 0 0 0 0 0 0 0 0 0.5247 -3.8456 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9165 -2.9849 -1.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -2.9195 -2.0594 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 -2.1652 -1.2181 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2862 -2.7481 -0.7551 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -2.2800 -0.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5168 -3.0256 -1.1343 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8569 -0.8611 -0.5174 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5795 -0.0581 -1.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3620 -0.6796 -0.2516 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0823 -1.0741 -1.3769 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0932 -0.4590 0.6359 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 0.8110 1.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1904 1.0345 2.3913 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 2.0215 0.4825 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4515 3.0739 0.3093 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7316 4.4296 0.3465 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5894 5.4295 -0.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 4.7250 1.7576 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9224 3.4577 2.3607 N 0 0 2 0 0 0 0 0 0 0 0 0 2.3342 2.6584 1.3363 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9533 2.5463 1.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3513 2.2666 2.3537 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0403 2.6837 0.1274 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4892 2.2530 -1.2317 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8140 2.2824 -2.0601 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4716 2.7632 -3.7245 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8152 3.2600 -1.4949 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3389 2.8317 -0.1825 N 0 0 1 0 0 0 0 0 0 0 0 0 -1.2479 2.0173 0.3025 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5025 0.7608 0.8444 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3294 0.7461 1.8328 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2773 1.2753 -3.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3700 -0.2578 -2.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5221 1.3535 -2.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6220 0.0645 -0.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0592 2.3162 0.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3414 2.1989 -0.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7732 2.9601 -1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7872 0.0151 0.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2794 0.0845 -1.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6046 -0.8106 1.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0433 -0.7636 -1.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5884 -1.6108 1.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8881 -2.4718 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5842 -0.5907 -0.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8422 -0.2929 1.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4344 -4.0342 1.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5412 -3.8202 2.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2647 -4.5088 3.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1529 -6.5355 1.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7865 -6.4370 1.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -4.8508 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -6.5746 -0.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -5.7773 -0.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -1.1642 -0.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2623 -1.9513 -2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0530 -0.6383 -2.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0971 0.9189 -1.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5357 0.0562 -2.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6876 -1.2698 0.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5711 0.3839 -0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0120 -0.8010 -1.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6227 -1.2577 1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9832 1.8315 -0.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9426 3.0183 -0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1587 3.0421 1.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8981 4.3598 -0.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4994 5.0807 -0.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3732 5.4018 1.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0141 5.2328 2.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 3.5295 3.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1214 3.8084 0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2171 2.9687 -1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8222 1.2032 -1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3048 1.2782 -2.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4214 4.2793 -1.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6767 3.2536 -2.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2956 3.6796 0.4186 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 2 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 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 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 15 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 2 0 0 0 0 20 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 1 6 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 26 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 49 9 1 0 0 0 0 19 13 1 0 0 0 0 39 33 1 0 0 0 0 48 42 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 1 53 1 0 0 0 0 2 54 1 6 0 0 0 3 55 1 0 0 0 0 3 56 1 0 0 0 0 3 57 1 0 0 0 0 4 58 1 0 0 0 0 5 59 1 0 0 0 0 6 60 1 0 0 0 0 7 61 1 0 0 0 0 8 62 1 0 0 0 0 8 63 1 0 0 0 0 9 64 1 6 0 0 0 10 65 1 0 0 0 0 13 66 1 1 0 0 0 14 67 1 0 0 0 0 14 68 1 0 0 0 0 15 69 1 6 0 0 0 16 70 1 0 0 0 0 17 71 1 0 0 0 0 17 72 1 0 0 0 0 18 73 1 0 0 0 0 22 74 1 0 0 0 0 22 75 1 0 0 0 0 27 76 1 0 0 0 0 27 77 1 0 0 0 0 27 78 1 0 0 0 0 28 79 1 0 0 0 0 28 80 1 0 0 0 0 29 81 1 0 0 0 0 30 82 1 0 0 0 0 33 83 1 6 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 35 86 1 6 0 0 0 36 87 1 0 0 0 0 37 88 1 0 0 0 0 37 89 1 0 0 0 0 38 90 1 0 0 0 0 42 91 1 6 0 0 0 43 92 1 0 0 0 0 43 93 1 0 0 0 0 44 94 1 6 0 0 0 46 95 1 0 0 0 0 46 96 1 0 0 0 0 47 97 1 0 0 0 0 M END 3D MOL for NP0006824 (Piperazimycin A)RDKit 3D 97100 0 0 0 0 0 0 0 0999 V2000 -7.4185 0.7778 -2.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7670 0.7776 -1.1155 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.2314 2.1170 -0.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6545 0.2091 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4737 -0.0814 -0.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4276 -0.6323 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2275 -0.9391 -0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1654 -1.5047 0.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9706 -0.5660 0.4569 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1022 -1.0461 1.2943 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3286 -2.2720 1.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -2.2516 3.1691 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4507 -3.6291 1.3527 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5973 -4.4340 2.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9129 -5.7617 1.5310 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1592 -6.1656 2.0309 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1152 -5.5711 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1467 -5.1541 -0.4780 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5247 -3.8456 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9165 -2.9849 -1.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -2.9195 -2.0594 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 -2.1652 -1.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2862 -2.7481 -0.7551 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -2.2800 -0.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5168 -3.0256 -1.1343 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8569 -0.8611 -0.5174 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5795 -0.0581 -1.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3620 -0.6796 -0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0823 -1.0741 -1.3769 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0932 -0.4590 0.6359 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 0.8110 1.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1904 1.0345 2.3913 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 2.0215 0.4825 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4515 3.0739 0.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7316 4.4296 0.3465 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5894 5.4295 -0.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 4.7250 1.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9224 3.4577 2.3607 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3342 2.6584 1.3363 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9533 2.5463 1.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3513 2.2666 2.3537 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0403 2.6837 0.1274 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4892 2.2530 -1.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 2.2824 -2.0601 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4716 2.7632 -3.7245 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8152 3.2600 -1.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3389 2.8317 -0.1825 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2479 2.0173 0.3025 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5025 0.7608 0.8444 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3294 0.7461 1.8328 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2773 1.2753 -3.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3700 -0.2578 -2.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5221 1.3535 -2.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6220 0.0645 -0.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0592 2.3162 0.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3414 2.1989 -0.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7732 2.9601 -1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7872 0.0151 0.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2794 0.0845 -1.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6046 -0.8106 1.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0433 -0.7636 -1.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5884 -1.6108 1.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8881 -2.4718 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5842 -0.5907 -0.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8422 -0.2929 1.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4344 -4.0342 1.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5412 -3.8202 2.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2647 -4.5088 3.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1529 -6.5355 1.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7865 -6.4370 1.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -4.8508 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -6.5746 -0.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -5.7773 -0.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -1.1642 -0.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2623 -1.9513 -2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0530 -0.6383 -2.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0971 0.9189 -1.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5357 0.0562 -2.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6876 -1.2698 0.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5711 0.3839 -0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0120 -0.8010 -1.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6227 -1.2577 1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9832 1.8315 -0.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9426 3.0183 -0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1587 3.0421 1.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8981 4.3598 -0.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4994 5.0807 -0.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3732 5.4018 1.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0141 5.2328 2.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 3.5295 3.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1214 3.8084 0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2171 2.9687 -1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8222 1.2032 -1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3048 1.2782 -2.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4214 4.2793 -1.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6767 3.2536 -2.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2956 3.6796 0.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 6 26 28 1 0 28 29 1 0 26 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 9 1 0 19 13 1 0 39 33 1 0 48 42 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 6 3 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 6 10 65 1 0 13 66 1 1 14 67 1 0 14 68 1 0 15 69 1 6 16 70 1 0 17 71 1 0 17 72 1 0 18 73 1 0 22 74 1 0 22 75 1 0 27 76 1 0 27 77 1 0 27 78 1 0 28 79 1 0 28 80 1 0 29 81 1 0 30 82 1 0 33 83 1 6 34 84 1 0 34 85 1 0 35 86 1 6 36 87 1 0 37 88 1 0 37 89 1 0 38 90 1 0 42 91 1 6 43 92 1 0 43 93 1 0 44 94 1 6 46 95 1 0 46 96 1 0 47 97 1 0 M END 3D SDF for NP0006824 (Piperazimycin A)Mrv1652307012119073D 97100 0 0 0 0 999 V2000 -7.4185 0.7778 -2.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7670 0.7776 -1.1155 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.2314 2.1170 -0.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6545 0.2091 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4737 -0.0814 -0.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4276 -0.6323 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2275 -0.9391 -0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1654 -1.5047 0.4624 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9706 -0.5660 0.4569 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1022 -1.0461 1.2943 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3286 -2.2720 1.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -2.2516 3.1691 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4507 -3.6291 1.3527 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5973 -4.4340 2.0962 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9129 -5.7617 1.5310 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1592 -6.1656 2.0309 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1152 -5.5711 0.0280 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1467 -5.1541 -0.4780 N 0 0 1 0 0 0 0 0 0 0 0 0 0.5247 -3.8456 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9165 -2.9849 -1.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -2.9195 -2.0594 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 -2.1652 -1.2181 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2862 -2.7481 -0.7551 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -2.2800 -0.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5168 -3.0256 -1.1343 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8569 -0.8611 -0.5174 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5795 -0.0581 -1.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3620 -0.6796 -0.2516 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0823 -1.0741 -1.3769 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0932 -0.4590 0.6359 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 0.8110 1.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1904 1.0345 2.3913 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 2.0215 0.4825 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4515 3.0739 0.3093 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7316 4.4296 0.3465 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5894 5.4295 -0.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 4.7250 1.7576 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9224 3.4577 2.3607 N 0 0 2 0 0 0 0 0 0 0 0 0 2.3342 2.6584 1.3363 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9533 2.5463 1.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3513 2.2666 2.3537 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0403 2.6837 0.1274 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4892 2.2530 -1.2317 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8140 2.2824 -2.0601 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4716 2.7632 -3.7245 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8152 3.2600 -1.4949 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3389 2.8317 -0.1825 N 0 0 1 0 0 0 0 0 0 0 0 0 -1.2479 2.0173 0.3025 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5025 0.7608 0.8444 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3294 0.7461 1.8328 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2773 1.2753 -3.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3700 -0.2578 -2.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5221 1.3535 -2.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6220 0.0645 -0.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0592 2.3162 0.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3414 2.1989 -0.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7732 2.9601 -1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7872 0.0151 0.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2794 0.0845 -1.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6046 -0.8106 1.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0433 -0.7636 -1.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5884 -1.6108 1.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8881 -2.4718 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5842 -0.5907 -0.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8422 -0.2929 1.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4344 -4.0342 1.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5412 -3.8202 2.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2647 -4.5088 3.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1529 -6.5355 1.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7865 -6.4370 1.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -4.8508 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -6.5746 -0.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -5.7773 -0.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -1.1642 -0.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2623 -1.9513 -2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0530 -0.6383 -2.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0971 0.9189 -1.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5357 0.0562 -2.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6876 -1.2698 0.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5711 0.3839 -0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0120 -0.8010 -1.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6227 -1.2577 1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9832 1.8315 -0.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9426 3.0183 -0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1587 3.0421 1.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8981 4.3598 -0.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4994 5.0807 -0.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3732 5.4018 1.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0141 5.2328 2.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 3.5295 3.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1214 3.8084 0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2171 2.9687 -1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8222 1.2032 -1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3048 1.2782 -2.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4214 4.2793 -1.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6767 3.2536 -2.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2956 3.6796 0.4186 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 2 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 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 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 15 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 2 0 0 0 0 20 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 1 6 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 26 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 49 9 1 0 0 0 0 19 13 1 0 0 0 0 39 33 1 0 0 0 0 48 42 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 1 53 1 0 0 0 0 2 54 1 6 0 0 0 3 55 1 0 0 0 0 3 56 1 0 0 0 0 3 57 1 0 0 0 0 4 58 1 0 0 0 0 5 59 1 0 0 0 0 6 60 1 0 0 0 0 7 61 1 0 0 0 0 8 62 1 0 0 0 0 8 63 1 0 0 0 0 9 64 1 6 0 0 0 10 65 1 0 0 0 0 13 66 1 1 0 0 0 14 67 1 0 0 0 0 14 68 1 0 0 0 0 15 69 1 6 0 0 0 16 70 1 0 0 0 0 17 71 1 0 0 0 0 17 72 1 0 0 0 0 18 73 1 0 0 0 0 22 74 1 0 0 0 0 22 75 1 0 0 0 0 27 76 1 0 0 0 0 27 77 1 0 0 0 0 27 78 1 0 0 0 0 28 79 1 0 0 0 0 28 80 1 0 0 0 0 29 81 1 0 0 0 0 30 82 1 0 0 0 0 33 83 1 6 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 35 86 1 6 0 0 0 36 87 1 0 0 0 0 37 88 1 0 0 0 0 37 89 1 0 0 0 0 38 90 1 0 0 0 0 42 91 1 6 0 0 0 43 92 1 0 0 0 0 43 93 1 0 0 0 0 44 94 1 6 0 0 0 46 95 1 0 0 0 0 46 96 1 0 0 0 0 47 97 1 0 0 0 0 M END > <DATABASE_ID> NP0006824 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC([H])([H])[C@@]1(N([H])C(=O)[C@@]2([H])N(N([H])C([H])([H])[C@@]([H])(O[H])C2([H])[H])C(=O)[C@]2([H])N(N([H])C([H])([H])[C@@]([H])(Cl)C2([H])[H])C(=O)[C@@]([H])(N([H])C(=O)[C@]2([H])N(N([H])C([H])([H])[C@]([H])(O[H])C2([H])[H])C(=O)C([H])([H])OC1=O)C([H])([H])C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C31H47ClN8O10/c1-17(2)7-5-4-6-8-21-28(47)40-24(9-18(32)12-33-40)29(48)39-23(11-20(43)14-35-39)27(46)37-31(3,16-41)30(49)50-15-25(44)38-22(26(45)36-21)10-19(42)13-34-38/h4-7,17-24,33-35,41-43H,8-16H2,1-3H3,(H,36,45)(H,37,46)/b6-4+,7-5+/t18-,19+,20-,21-,22+,23-,24+,31-/m0/s1 > <INCHI_KEY> OHBCWVJHZZYAHJ-QODGRZNGSA-N > <FORMULA> C31H47ClN8O10 > <MOLECULAR_WEIGHT> 727.21 > <EXACT_MASS> 726.3103674 > <JCHEM_ACCEPTOR_COUNT> 12 > <JCHEM_ATOM_COUNT> 97 > <JCHEM_AVERAGE_POLARIZABILITY> 72.45802456001094 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 8 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (3R,5S,10S,13R,15R,23S,26S,28S)-5-chloro-15,28-dihydroxy-23-(hydroxymethyl)-23-methyl-10-[(2E,4E)-6-methylhepta-2,4-dien-1-yl]-21-oxa-1,7,8,11,17,18,24,30-octaazatetracyclo[24.4.0.0^{3,8}.0^{13,18}]triacontane-2,9,12,19,22,25-hexone > <ALOGPS_LOGP> -1.03 > <JCHEM_LOGP> -3.524251528999999 > <ALOGPS_LOGS> -2.36 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 4 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 11.059257760013837 > <JCHEM_PKA_STRONGEST_ACIDIC> 10.292615381516823 > <JCHEM_PKA_STRONGEST_BASIC> 4.030320687795884 > <JCHEM_POLAR_SURFACE_AREA> 242.20999999999998 > <JCHEM_REFRACTIVITY> 209.72519999999997 > <JCHEM_ROTATABLE_BOND_COUNT> 5 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 3.16e+00 g/l > <JCHEM_TRADITIONAL_IUPAC> (3R,5S,10S,13R,15R,23S,26S,28S)-5-chloro-15,28-dihydroxy-23-(hydroxymethyl)-23-methyl-10-[(2E,4E)-6-methylhepta-2,4-dien-1-yl]-21-oxa-1,7,8,11,17,18,24,30-octaazatetracyclo[24.4.0.0^{3,8}.0^{13,18}]triacontane-2,9,12,19,22,25-hexone > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0006824 (Piperazimycin A)RDKit 3D 97100 0 0 0 0 0 0 0 0999 V2000 -7.4185 0.7778 -2.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7670 0.7776 -1.1155 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.2314 2.1170 -0.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6545 0.2091 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4737 -0.0814 -0.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4276 -0.6323 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2275 -0.9391 -0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1654 -1.5047 0.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9706 -0.5660 0.4569 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1022 -1.0461 1.2943 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3286 -2.2720 1.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -2.2516 3.1691 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4507 -3.6291 1.3527 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5973 -4.4340 2.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9129 -5.7617 1.5310 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1592 -6.1656 2.0309 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1152 -5.5711 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1467 -5.1541 -0.4780 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5247 -3.8456 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9165 -2.9849 -1.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -2.9195 -2.0594 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 -2.1652 -1.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2862 -2.7481 -0.7551 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -2.2800 -0.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5168 -3.0256 -1.1343 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8569 -0.8611 -0.5174 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5795 -0.0581 -1.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3620 -0.6796 -0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0823 -1.0741 -1.3769 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0932 -0.4590 0.6359 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 0.8110 1.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1904 1.0345 2.3913 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 2.0215 0.4825 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4515 3.0739 0.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7316 4.4296 0.3465 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5894 5.4295 -0.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 4.7250 1.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9224 3.4577 2.3607 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3342 2.6584 1.3363 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9533 2.5463 1.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3513 2.2666 2.3537 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0403 2.6837 0.1274 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4892 2.2530 -1.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 2.2824 -2.0601 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4716 2.7632 -3.7245 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8152 3.2600 -1.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3389 2.8317 -0.1825 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2479 2.0173 0.3025 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5025 0.7608 0.8444 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3294 0.7461 1.8328 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2773 1.2753 -3.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3700 -0.2578 -2.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5221 1.3535 -2.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6220 0.0645 -0.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0592 2.3162 0.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3414 2.1989 -0.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7732 2.9601 -1.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7872 0.0151 0.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2794 0.0845 -1.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6046 -0.8106 1.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0433 -0.7636 -1.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5884 -1.6108 1.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8881 -2.4718 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5842 -0.5907 -0.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8422 -0.2929 1.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4344 -4.0342 1.7673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5412 -3.8202 2.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2647 -4.5088 3.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1529 -6.5355 1.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7865 -6.4370 1.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -4.8508 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -6.5746 -0.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -5.7773 -0.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -1.1642 -0.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2623 -1.9513 -2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0530 -0.6383 -2.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0971 0.9189 -1.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5357 0.0562 -2.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6876 -1.2698 0.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5711 0.3839 -0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0120 -0.8010 -1.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6227 -1.2577 1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9832 1.8315 -0.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9426 3.0183 -0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1587 3.0421 1.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8981 4.3598 -0.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4994 5.0807 -0.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3732 5.4018 1.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0141 5.2328 2.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 3.5295 3.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1214 3.8084 0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2171 2.9687 -1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8222 1.2032 -1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3048 1.2782 -2.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4214 4.2793 -1.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6767 3.2536 -2.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2956 3.6796 0.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 6 26 28 1 0 28 29 1 0 26 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 9 1 0 19 13 1 0 39 33 1 0 48 42 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 6 3 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 6 10 65 1 0 13 66 1 1 14 67 1 0 14 68 1 0 15 69 1 6 16 70 1 0 17 71 1 0 17 72 1 0 18 73 1 0 22 74 1 0 22 75 1 0 27 76 1 0 27 77 1 0 27 78 1 0 28 79 1 0 28 80 1 0 29 81 1 0 30 82 1 0 33 83 1 6 34 84 1 0 34 85 1 0 35 86 1 6 36 87 1 0 37 88 1 0 37 89 1 0 38 90 1 0 42 91 1 6 43 92 1 0 43 93 1 0 44 94 1 6 46 95 1 0 46 96 1 0 47 97 1 0 M END PDB for NP0006824 (Piperazimycin A)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 -7.418 0.778 -2.579 0.00 0.00 C+0 HETATM 2 C UNK 0 -7.767 0.778 -1.115 0.00 0.00 C+0 HETATM 3 C UNK 0 -8.231 2.117 -0.636 0.00 0.00 C+0 HETATM 4 C UNK 0 -6.654 0.209 -0.293 0.00 0.00 C+0 HETATM 5 C UNK 0 -5.474 -0.081 -0.801 0.00 0.00 C+0 HETATM 6 C UNK 0 -4.428 -0.632 0.044 0.00 0.00 C+0 HETATM 7 C UNK 0 -3.228 -0.939 -0.420 0.00 0.00 C+0 HETATM 8 C UNK 0 -2.165 -1.505 0.462 0.00 0.00 C+0 HETATM 9 C UNK 0 -0.971 -0.566 0.457 0.00 0.00 C+0 HETATM 10 N UNK 0 0.102 -1.046 1.294 0.00 0.00 N+0 HETATM 11 C UNK 0 0.329 -2.272 1.878 0.00 0.00 C+0 HETATM 12 O UNK 0 0.468 -2.252 3.169 0.00 0.00 O+0 HETATM 13 C UNK 0 0.451 -3.629 1.353 0.00 0.00 C+0 HETATM 14 C UNK 0 -0.597 -4.434 2.096 0.00 0.00 C+0 HETATM 15 C UNK 0 -0.913 -5.762 1.531 0.00 0.00 C+0 HETATM 16 O UNK 0 -2.159 -6.166 2.031 0.00 0.00 O+0 HETATM 17 C UNK 0 -1.115 -5.571 0.028 0.00 0.00 C+0 HETATM 18 N UNK 0 0.147 -5.154 -0.478 0.00 0.00 N+0 HETATM 19 N UNK 0 0.525 -3.846 -0.035 0.00 0.00 N+0 HETATM 20 C UNK 0 0.917 -2.985 -1.081 0.00 0.00 C+0 HETATM 21 O UNK 0 0.081 -2.920 -2.059 0.00 0.00 O+0 HETATM 22 C UNK 0 2.117 -2.165 -1.218 0.00 0.00 C+0 HETATM 23 O UNK 0 3.286 -2.748 -0.755 0.00 0.00 O+0 HETATM 24 C UNK 0 4.567 -2.280 -0.821 0.00 0.00 C+0 HETATM 25 O UNK 0 5.517 -3.026 -1.134 0.00 0.00 O+0 HETATM 26 C UNK 0 4.857 -0.861 -0.517 0.00 0.00 C+0 HETATM 27 C UNK 0 4.580 -0.058 -1.762 0.00 0.00 C+0 HETATM 28 C UNK 0 6.362 -0.680 -0.252 0.00 0.00 C+0 HETATM 29 O UNK 0 7.082 -1.074 -1.377 0.00 0.00 O+0 HETATM 30 N UNK 0 4.093 -0.459 0.636 0.00 0.00 N+0 HETATM 31 C UNK 0 3.887 0.811 1.159 0.00 0.00 C+0 HETATM 32 O UNK 0 4.190 1.034 2.391 0.00 0.00 O+0 HETATM 33 C UNK 0 3.339 2.022 0.483 0.00 0.00 C+0 HETATM 34 C UNK 0 4.452 3.074 0.309 0.00 0.00 C+0 HETATM 35 C UNK 0 3.732 4.430 0.347 0.00 0.00 C+0 HETATM 36 O UNK 0 4.589 5.430 -0.094 0.00 0.00 O+0 HETATM 37 C UNK 0 3.250 4.725 1.758 0.00 0.00 C+0 HETATM 38 N UNK 0 2.922 3.458 2.361 0.00 0.00 N+0 HETATM 39 N UNK 0 2.334 2.658 1.336 0.00 0.00 N+0 HETATM 40 C UNK 0 0.953 2.546 1.242 0.00 0.00 C+0 HETATM 41 O UNK 0 0.351 2.267 2.354 0.00 0.00 O+0 HETATM 42 C UNK 0 0.040 2.684 0.127 0.00 0.00 C+0 HETATM 43 C UNK 0 0.489 2.253 -1.232 0.00 0.00 C+0 HETATM 44 C UNK 0 -0.814 2.282 -2.060 0.00 0.00 C+0 HETATM 45 Cl UNK 0 -0.472 2.763 -3.724 0.00 0.00 Cl+0 HETATM 46 C UNK 0 -1.815 3.260 -1.495 0.00 0.00 C+0 HETATM 47 N UNK 0 -2.339 2.832 -0.183 0.00 0.00 N+0 HETATM 48 N UNK 0 -1.248 2.017 0.303 0.00 0.00 N+0 HETATM 49 C UNK 0 -1.502 0.761 0.844 0.00 0.00 C+0 HETATM 50 O UNK 0 -2.329 0.746 1.833 0.00 0.00 O+0 HETATM 51 H UNK 0 -8.277 1.275 -3.103 0.00 0.00 H+0 HETATM 52 H UNK 0 -7.370 -0.258 -2.976 0.00 0.00 H+0 HETATM 53 H UNK 0 -6.522 1.353 -2.832 0.00 0.00 H+0 HETATM 54 H UNK 0 -8.622 0.065 -0.988 0.00 0.00 H+0 HETATM 55 H UNK 0 -8.059 2.316 0.423 0.00 0.00 H+0 HETATM 56 H UNK 0 -9.341 2.199 -0.795 0.00 0.00 H+0 HETATM 57 H UNK 0 -7.773 2.960 -1.201 0.00 0.00 H+0 HETATM 58 H UNK 0 -6.787 0.015 0.763 0.00 0.00 H+0 HETATM 59 H UNK 0 -5.279 0.085 -1.829 0.00 0.00 H+0 HETATM 60 H UNK 0 -4.605 -0.811 1.096 0.00 0.00 H+0 HETATM 61 H UNK 0 -3.043 -0.764 -1.470 0.00 0.00 H+0 HETATM 62 H UNK 0 -2.588 -1.611 1.468 0.00 0.00 H+0 HETATM 63 H UNK 0 -1.888 -2.472 0.000 0.00 0.00 H+0 HETATM 64 H UNK 0 -0.584 -0.591 -0.583 0.00 0.00 H+0 HETATM 65 H UNK 0 0.842 -0.293 1.480 0.00 0.00 H+0 HETATM 66 H UNK 0 1.434 -4.034 1.767 0.00 0.00 H+0 HETATM 67 H UNK 0 -1.541 -3.820 2.067 0.00 0.00 H+0 HETATM 68 H UNK 0 -0.265 -4.509 3.164 0.00 0.00 H+0 HETATM 69 H UNK 0 -0.153 -6.535 1.678 0.00 0.00 H+0 HETATM 70 H UNK 0 -2.787 -6.437 1.316 0.00 0.00 H+0 HETATM 71 H UNK 0 -1.896 -4.851 -0.200 0.00 0.00 H+0 HETATM 72 H UNK 0 -1.323 -6.575 -0.390 0.00 0.00 H+0 HETATM 73 H UNK 0 0.908 -5.777 -0.069 0.00 0.00 H+0 HETATM 74 H UNK 0 1.904 -1.164 -0.796 0.00 0.00 H+0 HETATM 75 H UNK 0 2.262 -1.951 -2.320 0.00 0.00 H+0 HETATM 76 H UNK 0 5.053 -0.638 -2.604 0.00 0.00 H+0 HETATM 77 H UNK 0 5.097 0.919 -1.782 0.00 0.00 H+0 HETATM 78 H UNK 0 3.536 0.056 -2.031 0.00 0.00 H+0 HETATM 79 H UNK 0 6.688 -1.270 0.611 0.00 0.00 H+0 HETATM 80 H UNK 0 6.571 0.384 -0.075 0.00 0.00 H+0 HETATM 81 H UNK 0 8.012 -0.801 -1.356 0.00 0.00 H+0 HETATM 82 H UNK 0 3.623 -1.258 1.168 0.00 0.00 H+0 HETATM 83 H UNK 0 2.983 1.831 -0.540 0.00 0.00 H+0 HETATM 84 H UNK 0 4.943 3.018 -0.659 0.00 0.00 H+0 HETATM 85 H UNK 0 5.159 3.042 1.137 0.00 0.00 H+0 HETATM 86 H UNK 0 2.898 4.360 -0.368 0.00 0.00 H+0 HETATM 87 H UNK 0 5.499 5.081 -0.275 0.00 0.00 H+0 HETATM 88 H UNK 0 2.373 5.402 1.652 0.00 0.00 H+0 HETATM 89 H UNK 0 4.014 5.233 2.361 0.00 0.00 H+0 HETATM 90 H UNK 0 2.317 3.530 3.188 0.00 0.00 H+0 HETATM 91 H UNK 0 -0.121 3.808 0.020 0.00 0.00 H+0 HETATM 92 H UNK 0 1.217 2.969 -1.678 0.00 0.00 H+0 HETATM 93 H UNK 0 0.822 1.203 -1.308 0.00 0.00 H+0 HETATM 94 H UNK 0 -1.305 1.278 -2.046 0.00 0.00 H+0 HETATM 95 H UNK 0 -1.421 4.279 -1.474 0.00 0.00 H+0 HETATM 96 H UNK 0 -2.677 3.254 -2.177 0.00 0.00 H+0 HETATM 97 H UNK 0 -2.296 3.680 0.419 0.00 0.00 H+0 CONECT 1 2 51 52 53 CONECT 2 1 3 4 54 CONECT 3 2 55 56 57 CONECT 4 2 5 58 CONECT 5 4 6 59 CONECT 6 5 7 60 CONECT 7 6 8 61 CONECT 8 7 9 62 63 CONECT 9 8 10 49 64 CONECT 10 9 11 65 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 14 19 66 CONECT 14 13 15 67 68 CONECT 15 14 16 17 69 CONECT 16 15 70 CONECT 17 15 18 71 72 CONECT 18 17 19 73 CONECT 19 18 20 13 CONECT 20 19 21 22 CONECT 21 20 CONECT 22 20 23 74 75 CONECT 23 22 24 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 27 28 30 CONECT 27 26 76 77 78 CONECT 28 26 29 79 80 CONECT 29 28 81 CONECT 30 26 31 82 CONECT 31 30 32 33 CONECT 32 31 CONECT 33 31 34 39 83 CONECT 34 33 35 84 85 CONECT 35 34 36 37 86 CONECT 36 35 87 CONECT 37 35 38 88 89 CONECT 38 37 39 90 CONECT 39 38 40 33 CONECT 40 39 41 42 CONECT 41 40 CONECT 42 40 43 48 91 CONECT 43 42 44 92 93 CONECT 44 43 45 46 94 CONECT 45 44 CONECT 46 44 47 95 96 CONECT 47 46 48 97 CONECT 48 47 49 42 CONECT 49 48 50 9 CONECT 50 49 CONECT 51 1 CONECT 52 1 CONECT 53 1 CONECT 54 2 CONECT 55 3 CONECT 56 3 CONECT 57 3 CONECT 58 4 CONECT 59 5 CONECT 60 6 CONECT 61 7 CONECT 62 8 CONECT 63 8 CONECT 64 9 CONECT 65 10 CONECT 66 13 CONECT 67 14 CONECT 68 14 CONECT 69 15 CONECT 70 16 CONECT 71 17 CONECT 72 17 CONECT 73 18 CONECT 74 22 CONECT 75 22 CONECT 76 27 CONECT 77 27 CONECT 78 27 CONECT 79 28 CONECT 80 28 CONECT 81 29 CONECT 82 30 CONECT 83 33 CONECT 84 34 CONECT 85 34 CONECT 86 35 CONECT 87 36 CONECT 88 37 CONECT 89 37 CONECT 90 38 CONECT 91 42 CONECT 92 43 CONECT 93 43 CONECT 94 44 CONECT 95 46 CONECT 96 46 CONECT 97 47 MASTER 0 0 0 0 0 0 0 0 97 0 200 0 END SMILES for NP0006824 (Piperazimycin A)[H]OC([H])([H])[C@@]1(N([H])C(=O)[C@@]2([H])N(N([H])C([H])([H])[C@@]([H])(O[H])C2([H])[H])C(=O)[C@]2([H])N(N([H])C([H])([H])[C@@]([H])(Cl)C2([H])[H])C(=O)[C@@]([H])(N([H])C(=O)[C@]2([H])N(N([H])C([H])([H])[C@]([H])(O[H])C2([H])[H])C(=O)C([H])([H])OC1=O)C([H])([H])C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] INCHI for NP0006824 (Piperazimycin A)InChI=1S/C31H47ClN8O10/c1-17(2)7-5-4-6-8-21-28(47)40-24(9-18(32)12-33-40)29(48)39-23(11-20(43)14-35-39)27(46)37-31(3,16-41)30(49)50-15-25(44)38-22(26(45)36-21)10-19(42)13-34-38/h4-7,17-24,33-35,41-43H,8-16H2,1-3H3,(H,36,45)(H,37,46)/b6-4+,7-5+/t18-,19+,20-,21-,22+,23-,24+,31-/m0/s1 3D Structure for NP0006824 (Piperazimycin A) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
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Chemical Formula | C31H47ClN8O10 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 727.2100 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 726.31037 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (3R,5S,10S,13R,15R,23S,26S,28S)-5-chloro-15,28-dihydroxy-23-(hydroxymethyl)-23-methyl-10-[(2E,4E)-6-methylhepta-2,4-dien-1-yl]-21-oxa-1,7,8,11,17,18,24,30-octaazatetracyclo[24.4.0.0^{3,8}.0^{13,18}]triacontane-2,9,12,19,22,25-hexone | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (3R,5S,10S,13R,15R,23S,26S,28S)-5-chloro-15,28-dihydroxy-23-(hydroxymethyl)-23-methyl-10-[(2E,4E)-6-methylhepta-2,4-dien-1-yl]-21-oxa-1,7,8,11,17,18,24,30-octaazatetracyclo[24.4.0.0^{3,8}.0^{13,18}]triacontane-2,9,12,19,22,25-hexone | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC(C)\C=C\C=C\C[C@@H]1NC(=O)[C@H]2C[C@@H](O)CNN2C(=O)COC(=O)[C@](C)(CO)NC(=O)[C@@H]2C[C@H](O)CNN2C(=O)[C@H]2C[C@H](Cl)CNN2C1=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C31H47ClN8O10/c1-17(2)7-5-4-6-8-21-28(47)40-24(9-18(32)12-33-40)29(48)39-23(11-20(43)14-35-39)27(46)37-31(3,16-41)30(49)50-15-25(44)38-22(26(45)36-21)10-19(42)13-34-38/h4-7,17-24,33-35,41-43H,8-16H2,1-3H3,(H,36,45)(H,37,46)/b6-4+,7-5+/t18-,19+,20-,21-,22+,23-,24+,31-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | OHBCWVJHZZYAHJ-QODGRZNGSA-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 | NPA010986 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 17261133 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 16103273 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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