Showing NP-Card for Apicidin D2 (NP0004035)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2020-12-09 01:32:48 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 16:48:03 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0004035 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Apicidin D2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Apicidin D2 is found in Fusarium sp., Fusarium sp.ATCC74289 and Fusarium sp.ATCC74322. It was first documented in 2002 (PMID: 11856024). Based on a literature review very few articles have been published on (3S,6S,9S,15aR)-9-(butan-2-yl)-1,4,7-trihydroxy-3-[(6S)-6-hydroxyoctyl]-6-[(1-methoxy-1H-indol-3-yl)methyl]-3H,6H,9H,10H,12H,13H,14H,15H,15aH-pyrido[1,2-a]1,4,7,10-tetraazacyclododecan-10-one. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0004035 (Apicidin D2)Mrv1652307012117503D 96 99 0 0 0 0 999 V2000 -5.6567 -1.9847 1.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1219 -1.9508 1.8320 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6899 -1.8738 0.4105 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1202 -3.0188 -0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1992 -1.5325 0.2414 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9820 -1.5057 -1.1593 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9291 -0.2400 -1.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6832 -0.2387 -3.0436 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1379 1.0376 -1.1259 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8559 1.9387 -2.1550 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1058 3.2676 -1.5383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4343 4.4539 -1.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9377 5.4437 -1.0224 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5386 6.7731 -0.9607 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7358 7.5137 -2.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9579 4.9189 -0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8146 5.5071 0.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7851 4.7223 1.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9041 3.3848 0.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0423 2.8006 -0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0845 3.5729 -0.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9256 1.7339 -0.7644 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3809 1.3122 -0.7009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 1.8439 -1.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 0.2420 0.2024 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0028 0.9630 1.0429 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8073 0.2576 2.0348 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8070 -0.6837 1.4432 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8443 0.0690 0.5978 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7825 -0.9442 0.0351 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8638 -0.3435 -0.8216 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3627 0.3527 -1.9175 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8155 0.5141 -0.0059 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8797 1.0920 -0.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5671 -0.7810 -0.6175 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0732 -2.0606 -0.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8377 -2.1367 -2.2428 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7862 -3.2547 -0.2182 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0175 -3.7858 0.5592 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7599 -5.2424 0.8341 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5799 -5.2573 1.8207 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6093 -4.7959 1.0170 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3960 -3.3965 0.5783 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3476 -2.4777 1.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5803 -2.3773 2.2864 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0575 -1.5535 2.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0147 -3.0211 1.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9839 -1.3748 0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7926 -1.0853 2.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8167 -2.9375 2.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2068 -0.9626 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3691 -3.8343 -0.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2065 -2.7050 -1.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1225 -3.3250 -0.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0964 -0.5419 0.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8679 -2.3872 -1.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 1.0068 -0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7838 1.4518 -2.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1748 2.0341 -3.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5988 4.5529 -2.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6479 6.8373 -3.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9719 8.2979 -2.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7494 7.9333 -2.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7167 6.5524 0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4539 5.1742 1.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6914 2.8005 1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1904 1.7395 -0.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1063 2.7653 -0.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2329 -0.1356 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3964 1.7756 1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6403 1.6066 0.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1401 -0.3790 2.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3718 0.9621 2.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3687 -1.4390 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3527 -1.2559 2.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4205 0.7565 1.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3465 0.6213 -0.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2659 -1.7073 -0.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3201 -1.5040 0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4749 -1.2047 -1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7739 0.0197 -2.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2997 -0.1243 0.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2945 1.3673 0.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4653 1.3720 -1.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4088 1.9403 -0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6406 0.3070 -1.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5073 -0.4592 -1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6928 -4.1336 -0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0462 -3.2745 1.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -3.6063 -0.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5378 -5.8382 -0.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6589 -5.6191 1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -4.5972 2.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3845 -6.2910 2.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5562 -5.0172 1.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5657 -5.3933 0.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 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 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 9 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 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 25 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 5 1 0 0 0 0 21 11 1 0 0 0 0 43 38 1 0 0 0 0 21 16 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 2 49 1 0 0 0 0 2 50 1 0 0 0 0 3 51 1 6 0 0 0 4 52 1 0 0 0 0 4 53 1 0 0 0 0 4 54 1 0 0 0 0 5 55 1 1 0 0 0 6 56 1 0 0 0 0 9 57 1 1 0 0 0 10 58 1 0 0 0 0 10 59 1 0 0 0 0 12 60 1 0 0 0 0 15 61 1 0 0 0 0 15 62 1 0 0 0 0 15 63 1 0 0 0 0 17 64 1 0 0 0 0 18 65 1 0 0 0 0 19 66 1 0 0 0 0 20 67 1 0 0 0 0 22 68 1 0 0 0 0 25 69 1 1 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 28 74 1 0 0 0 0 28 75 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 30 78 1 0 0 0 0 30 79 1 0 0 0 0 31 80 1 6 0 0 0 32 81 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 34 86 1 0 0 0 0 35 87 1 0 0 0 0 38 88 1 6 0 0 0 39 89 1 0 0 0 0 39 90 1 0 0 0 0 40 91 1 0 0 0 0 40 92 1 0 0 0 0 41 93 1 0 0 0 0 41 94 1 0 0 0 0 42 95 1 0 0 0 0 42 96 1 0 0 0 0 M END 3D MOL for NP0004035 (Apicidin D2)RDKit 3D 96 99 0 0 0 0 0 0 0 0999 V2000 -5.6567 -1.9847 1.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1219 -1.9508 1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6899 -1.8738 0.4105 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1202 -3.0188 -0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1992 -1.5325 0.2414 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9820 -1.5057 -1.1593 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9291 -0.2400 -1.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6832 -0.2387 -3.0436 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1379 1.0376 -1.1259 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8559 1.9387 -2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1058 3.2676 -1.5383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4343 4.4539 -1.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9377 5.4437 -1.0224 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5386 6.7731 -0.9607 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7358 7.5137 -2.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9579 4.9189 -0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8146 5.5071 0.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7851 4.7223 1.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9041 3.3848 0.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0423 2.8006 -0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0845 3.5729 -0.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9256 1.7339 -0.7644 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3809 1.3122 -0.7009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 1.8439 -1.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 0.2420 0.2024 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0028 0.9630 1.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8073 0.2576 2.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8070 -0.6837 1.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8443 0.0690 0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7825 -0.9442 0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8638 -0.3435 -0.8216 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3627 0.3527 -1.9175 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8155 0.5141 -0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8797 1.0920 -0.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5671 -0.7810 -0.6175 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0732 -2.0606 -0.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8377 -2.1367 -2.2428 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7862 -3.2547 -0.2182 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0175 -3.7858 0.5592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7599 -5.2424 0.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5799 -5.2573 1.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6093 -4.7959 1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -3.3965 0.5783 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3476 -2.4777 1.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5803 -2.3773 2.2864 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0575 -1.5535 2.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0147 -3.0211 1.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9839 -1.3748 0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7926 -1.0853 2.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8167 -2.9375 2.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2068 -0.9626 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3691 -3.8343 -0.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2065 -2.7050 -1.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1225 -3.3250 -0.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0964 -0.5419 0.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8679 -2.3872 -1.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 1.0068 -0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7838 1.4518 -2.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1748 2.0341 -3.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5988 4.5529 -2.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6479 6.8373 -3.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9719 8.2979 -2.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7494 7.9333 -2.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7167 6.5524 0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4539 5.1742 1.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6914 2.8005 1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1904 1.7395 -0.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1063 2.7653 -0.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2329 -0.1356 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3964 1.7756 1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6403 1.6066 0.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1401 -0.3790 2.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3718 0.9621 2.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3687 -1.4390 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3527 -1.2559 2.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4205 0.7565 1.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3465 0.6213 -0.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2659 -1.7073 -0.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3201 -1.5040 0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4749 -1.2047 -1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7739 0.0197 -2.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2997 -0.1243 0.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2945 1.3673 0.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4653 1.3720 -1.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4088 1.9403 -0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6406 0.3070 -1.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5073 -0.4592 -1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6928 -4.1336 -0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0462 -3.2745 1.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -3.6063 -0.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5378 -5.8382 -0.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6589 -5.6191 1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -4.5972 2.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3845 -6.2910 2.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5562 -5.0172 1.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5657 -5.3933 0.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 9 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 25 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 5 1 0 21 11 1 0 43 38 1 0 21 16 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 6 4 52 1 0 4 53 1 0 4 54 1 0 5 55 1 1 6 56 1 0 9 57 1 1 10 58 1 0 10 59 1 0 12 60 1 0 15 61 1 0 15 62 1 0 15 63 1 0 17 64 1 0 18 65 1 0 19 66 1 0 20 67 1 0 22 68 1 0 25 69 1 1 26 70 1 0 26 71 1 0 27 72 1 0 27 73 1 0 28 74 1 0 28 75 1 0 29 76 1 0 29 77 1 0 30 78 1 0 30 79 1 0 31 80 1 6 32 81 1 0 33 82 1 0 33 83 1 0 34 84 1 0 34 85 1 0 34 86 1 0 35 87 1 0 38 88 1 6 39 89 1 0 39 90 1 0 40 91 1 0 40 92 1 0 41 93 1 0 41 94 1 0 42 95 1 0 42 96 1 0 M END 3D SDF for NP0004035 (Apicidin D2)Mrv1652307012117503D 96 99 0 0 0 0 999 V2000 -5.6567 -1.9847 1.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1219 -1.9508 1.8320 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6899 -1.8738 0.4105 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1202 -3.0188 -0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1992 -1.5325 0.2414 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9820 -1.5057 -1.1593 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9291 -0.2400 -1.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6832 -0.2387 -3.0436 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1379 1.0376 -1.1259 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8559 1.9387 -2.1550 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1058 3.2676 -1.5383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4343 4.4539 -1.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9377 5.4437 -1.0224 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5386 6.7731 -0.9607 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7358 7.5137 -2.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9579 4.9189 -0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8146 5.5071 0.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7851 4.7223 1.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9041 3.3848 0.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0423 2.8006 -0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0845 3.5729 -0.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9256 1.7339 -0.7644 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3809 1.3122 -0.7009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 1.8439 -1.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 0.2420 0.2024 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0028 0.9630 1.0429 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8073 0.2576 2.0348 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8070 -0.6837 1.4432 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8443 0.0690 0.5978 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7825 -0.9442 0.0351 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8638 -0.3435 -0.8216 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3627 0.3527 -1.9175 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8155 0.5141 -0.0059 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8797 1.0920 -0.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5671 -0.7810 -0.6175 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0732 -2.0606 -0.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8377 -2.1367 -2.2428 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7862 -3.2547 -0.2182 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0175 -3.7858 0.5592 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7599 -5.2424 0.8341 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5799 -5.2573 1.8207 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6093 -4.7959 1.0170 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3960 -3.3965 0.5783 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3476 -2.4777 1.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5803 -2.3773 2.2864 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0575 -1.5535 2.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0147 -3.0211 1.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9839 -1.3748 0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7926 -1.0853 2.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8167 -2.9375 2.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2068 -0.9626 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3691 -3.8343 -0.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2065 -2.7050 -1.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1225 -3.3250 -0.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0964 -0.5419 0.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8679 -2.3872 -1.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 1.0068 -0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7838 1.4518 -2.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1748 2.0341 -3.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5988 4.5529 -2.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6479 6.8373 -3.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9719 8.2979 -2.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7494 7.9333 -2.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7167 6.5524 0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4539 5.1742 1.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6914 2.8005 1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1904 1.7395 -0.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1063 2.7653 -0.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2329 -0.1356 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3964 1.7756 1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6403 1.6066 0.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1401 -0.3790 2.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3718 0.9621 2.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3687 -1.4390 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3527 -1.2559 2.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4205 0.7565 1.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3465 0.6213 -0.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2659 -1.7073 -0.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3201 -1.5040 0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4749 -1.2047 -1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7739 0.0197 -2.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2997 -0.1243 0.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2945 1.3673 0.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4653 1.3720 -1.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4088 1.9403 -0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6406 0.3070 -1.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5073 -0.4592 -1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6928 -4.1336 -0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0462 -3.2745 1.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -3.6063 -0.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5378 -5.8382 -0.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6589 -5.6191 1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -4.5972 2.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3845 -6.2910 2.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5562 -5.0172 1.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5657 -5.3933 0.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 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 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 9 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 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 25 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 5 1 0 0 0 0 21 11 1 0 0 0 0 43 38 1 0 0 0 0 21 16 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 2 49 1 0 0 0 0 2 50 1 0 0 0 0 3 51 1 6 0 0 0 4 52 1 0 0 0 0 4 53 1 0 0 0 0 4 54 1 0 0 0 0 5 55 1 1 0 0 0 6 56 1 0 0 0 0 9 57 1 1 0 0 0 10 58 1 0 0 0 0 10 59 1 0 0 0 0 12 60 1 0 0 0 0 15 61 1 0 0 0 0 15 62 1 0 0 0 0 15 63 1 0 0 0 0 17 64 1 0 0 0 0 18 65 1 0 0 0 0 19 66 1 0 0 0 0 20 67 1 0 0 0 0 22 68 1 0 0 0 0 25 69 1 1 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 28 74 1 0 0 0 0 28 75 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 30 78 1 0 0 0 0 30 79 1 0 0 0 0 31 80 1 6 0 0 0 32 81 1 0 0 0 0 33 82 1 0 0 0 0 33 83 1 0 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 34 86 1 0 0 0 0 35 87 1 0 0 0 0 38 88 1 6 0 0 0 39 89 1 0 0 0 0 39 90 1 0 0 0 0 40 91 1 0 0 0 0 40 92 1 0 0 0 0 41 93 1 0 0 0 0 41 94 1 0 0 0 0 42 95 1 0 0 0 0 42 96 1 0 0 0 0 M END > <DATABASE_ID> NP0004035 > <DATABASE_NAME> NP-MRD > <SMILES> [H]O[C@@]([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]1([H])N([H])C(=O)[C@]2([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C1=O)C([H])([H])C1=C([H])N(OC([H])([H])[H])C3=C([H])C([H])=C([H])C([H])=C13)[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C34H51N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,24,26-27,29-30,40H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,24-,26-,27-,29+,30-/m0/s1 > <INCHI_KEY> XSKZVBPNWYDMNT-YWHDRAQFSA-N > <FORMULA> C34H51N5O6 > <MOLECULAR_WEIGHT> 625.811 > <EXACT_MASS> 625.383934382 > <JCHEM_ACCEPTOR_COUNT> 6 > <JCHEM_ATOM_COUNT> 96 > <JCHEM_AVERAGE_POLARIZABILITY> 69.99858551078853 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 4 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (3S,6S,9S,15aR)-9-[(2S)-butan-2-yl]-3-[(6S)-6-hydroxyoctyl]-6-[(1-methoxy-1H-indol-3-yl)methyl]-tetradecahydro-1H-pyrido[1,2-a]1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrone > <ALOGPS_LOGP> 3.47 > <JCHEM_LOGP> 3.1671820363333327 > <ALOGPS_LOGS> -4.60 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 4 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 11.425047641619322 > <JCHEM_PKA_STRONGEST_ACIDIC> 10.86284973745052 > <JCHEM_PKA_STRONGEST_BASIC> -1.3601939811928885 > <JCHEM_POLAR_SURFACE_AREA> 142.00000000000003 > <JCHEM_REFRACTIVITY> 172.23890000000006 > <JCHEM_ROTATABLE_BOND_COUNT> 12 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 1.59e-02 g/l > <JCHEM_TRADITIONAL_IUPAC> (3S,6S,9S,15aR)-9-[(2S)-butan-2-yl]-3-[(6S)-6-hydroxyoctyl]-6-[(1-methoxyindol-3-yl)methyl]-decahydro-2H-pyrido[1,2-a]1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrone > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0004035 (Apicidin D2)RDKit 3D 96 99 0 0 0 0 0 0 0 0999 V2000 -5.6567 -1.9847 1.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1219 -1.9508 1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6899 -1.8738 0.4105 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1202 -3.0188 -0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1992 -1.5325 0.2414 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9820 -1.5057 -1.1593 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9291 -0.2400 -1.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6832 -0.2387 -3.0436 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1379 1.0376 -1.1259 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8559 1.9387 -2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1058 3.2676 -1.5383 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4343 4.4539 -1.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9377 5.4437 -1.0224 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5386 6.7731 -0.9607 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7358 7.5137 -2.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9579 4.9189 -0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8146 5.5071 0.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7851 4.7223 1.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9041 3.3848 0.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0423 2.8006 -0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0845 3.5729 -0.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9256 1.7339 -0.7644 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3809 1.3122 -0.7009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 1.8439 -1.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 0.2420 0.2024 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0028 0.9630 1.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8073 0.2576 2.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8070 -0.6837 1.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8443 0.0690 0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7825 -0.9442 0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8638 -0.3435 -0.8216 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3627 0.3527 -1.9175 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8155 0.5141 -0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8797 1.0920 -0.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5671 -0.7810 -0.6175 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0732 -2.0606 -0.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8377 -2.1367 -2.2428 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7862 -3.2547 -0.2182 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0175 -3.7858 0.5592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7599 -5.2424 0.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5799 -5.2573 1.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6093 -4.7959 1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -3.3965 0.5783 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3476 -2.4777 1.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5803 -2.3773 2.2864 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0575 -1.5535 2.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0147 -3.0211 1.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9839 -1.3748 0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7926 -1.0853 2.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8167 -2.9375 2.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2068 -0.9626 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3691 -3.8343 -0.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2065 -2.7050 -1.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1225 -3.3250 -0.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0964 -0.5419 0.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8679 -2.3872 -1.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 1.0068 -0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7838 1.4518 -2.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1748 2.0341 -3.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5988 4.5529 -2.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6479 6.8373 -3.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9719 8.2979 -2.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7494 7.9333 -2.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7167 6.5524 0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4539 5.1742 1.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6914 2.8005 1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1904 1.7395 -0.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1063 2.7653 -0.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2329 -0.1356 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3964 1.7756 1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6403 1.6066 0.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1401 -0.3790 2.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3718 0.9621 2.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3687 -1.4390 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3527 -1.2559 2.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4205 0.7565 1.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3465 0.6213 -0.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2659 -1.7073 -0.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3201 -1.5040 0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4749 -1.2047 -1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7739 0.0197 -2.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2997 -0.1243 0.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2945 1.3673 0.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4653 1.3720 -1.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4088 1.9403 -0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6406 0.3070 -1.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5073 -0.4592 -1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6928 -4.1336 -0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0462 -3.2745 1.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -3.6063 -0.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5378 -5.8382 -0.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6589 -5.6191 1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8390 -4.5972 2.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3845 -6.2910 2.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5562 -5.0172 1.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5657 -5.3933 0.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 9 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 25 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 5 1 0 21 11 1 0 43 38 1 0 21 16 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 6 4 52 1 0 4 53 1 0 4 54 1 0 5 55 1 1 6 56 1 0 9 57 1 1 10 58 1 0 10 59 1 0 12 60 1 0 15 61 1 0 15 62 1 0 15 63 1 0 17 64 1 0 18 65 1 0 19 66 1 0 20 67 1 0 22 68 1 0 25 69 1 1 26 70 1 0 26 71 1 0 27 72 1 0 27 73 1 0 28 74 1 0 28 75 1 0 29 76 1 0 29 77 1 0 30 78 1 0 30 79 1 0 31 80 1 6 32 81 1 0 33 82 1 0 33 83 1 0 34 84 1 0 34 85 1 0 34 86 1 0 35 87 1 0 38 88 1 6 39 89 1 0 39 90 1 0 40 91 1 0 40 92 1 0 41 93 1 0 41 94 1 0 42 95 1 0 42 96 1 0 M END PDB for NP0004035 (Apicidin D2)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 -5.657 -1.985 1.825 0.00 0.00 C+0 HETATM 2 C UNK 0 -4.122 -1.951 1.832 0.00 0.00 C+0 HETATM 3 C UNK 0 -3.690 -1.874 0.411 0.00 0.00 C+0 HETATM 4 C UNK 0 -4.120 -3.019 -0.445 0.00 0.00 C+0 HETATM 5 C UNK 0 -2.199 -1.533 0.241 0.00 0.00 C+0 HETATM 6 N UNK 0 -1.982 -1.506 -1.159 0.00 0.00 N+0 HETATM 7 C UNK 0 -1.929 -0.240 -1.802 0.00 0.00 C+0 HETATM 8 O UNK 0 -1.683 -0.239 -3.044 0.00 0.00 O+0 HETATM 9 C UNK 0 -2.138 1.038 -1.126 0.00 0.00 C+0 HETATM 10 C UNK 0 -2.856 1.939 -2.155 0.00 0.00 C+0 HETATM 11 C UNK 0 -3.106 3.268 -1.538 0.00 0.00 C+0 HETATM 12 C UNK 0 -2.434 4.454 -1.754 0.00 0.00 C+0 HETATM 13 N UNK 0 -2.938 5.444 -1.022 0.00 0.00 N+0 HETATM 14 O UNK 0 -2.539 6.773 -0.961 0.00 0.00 O+0 HETATM 15 C UNK 0 -2.736 7.514 -2.174 0.00 0.00 C+0 HETATM 16 C UNK 0 -3.958 4.919 -0.308 0.00 0.00 C+0 HETATM 17 C UNK 0 -4.815 5.507 0.603 0.00 0.00 C+0 HETATM 18 C UNK 0 -5.785 4.722 1.196 0.00 0.00 C+0 HETATM 19 C UNK 0 -5.904 3.385 0.892 0.00 0.00 C+0 HETATM 20 C UNK 0 -5.042 2.801 -0.022 0.00 0.00 C+0 HETATM 21 C UNK 0 -4.085 3.573 -0.608 0.00 0.00 C+0 HETATM 22 N UNK 0 -0.926 1.734 -0.764 0.00 0.00 N+0 HETATM 23 C UNK 0 0.381 1.312 -0.701 0.00 0.00 C+0 HETATM 24 O UNK 0 1.261 1.844 -1.473 0.00 0.00 O+0 HETATM 25 C UNK 0 0.998 0.242 0.202 0.00 0.00 C+0 HETATM 26 C UNK 0 2.003 0.963 1.043 0.00 0.00 C+0 HETATM 27 C UNK 0 2.807 0.258 2.035 0.00 0.00 C+0 HETATM 28 C UNK 0 3.807 -0.684 1.443 0.00 0.00 C+0 HETATM 29 C UNK 0 4.844 0.069 0.598 0.00 0.00 C+0 HETATM 30 C UNK 0 5.782 -0.944 0.035 0.00 0.00 C+0 HETATM 31 C UNK 0 6.864 -0.344 -0.822 0.00 0.00 C+0 HETATM 32 O UNK 0 6.363 0.353 -1.918 0.00 0.00 O+0 HETATM 33 C UNK 0 7.816 0.514 -0.006 0.00 0.00 C+0 HETATM 34 C UNK 0 8.880 1.092 -0.907 0.00 0.00 C+0 HETATM 35 N UNK 0 1.567 -0.781 -0.618 0.00 0.00 N+0 HETATM 36 C UNK 0 1.073 -2.061 -0.951 0.00 0.00 C+0 HETATM 37 O UNK 0 0.838 -2.137 -2.243 0.00 0.00 O+0 HETATM 38 C UNK 0 0.786 -3.255 -0.218 0.00 0.00 C+0 HETATM 39 C UNK 0 2.018 -3.786 0.559 0.00 0.00 C+0 HETATM 40 C UNK 0 1.760 -5.242 0.834 0.00 0.00 C+0 HETATM 41 C UNK 0 0.580 -5.257 1.821 0.00 0.00 C+0 HETATM 42 C UNK 0 -0.609 -4.796 1.017 0.00 0.00 C+0 HETATM 43 N UNK 0 -0.396 -3.397 0.578 0.00 0.00 N+0 HETATM 44 C UNK 0 -1.348 -2.478 1.012 0.00 0.00 C+0 HETATM 45 O UNK 0 -1.580 -2.377 2.286 0.00 0.00 O+0 HETATM 46 H UNK 0 -6.058 -1.554 2.767 0.00 0.00 H+0 HETATM 47 H UNK 0 -6.015 -3.021 1.668 0.00 0.00 H+0 HETATM 48 H UNK 0 -5.984 -1.375 0.961 0.00 0.00 H+0 HETATM 49 H UNK 0 -3.793 -1.085 2.401 0.00 0.00 H+0 HETATM 50 H UNK 0 -3.817 -2.938 2.251 0.00 0.00 H+0 HETATM 51 H UNK 0 -4.207 -0.963 -0.026 0.00 0.00 H+0 HETATM 52 H UNK 0 -3.369 -3.834 -0.374 0.00 0.00 H+0 HETATM 53 H UNK 0 -4.207 -2.705 -1.521 0.00 0.00 H+0 HETATM 54 H UNK 0 -5.122 -3.325 -0.137 0.00 0.00 H+0 HETATM 55 H UNK 0 -2.096 -0.542 0.738 0.00 0.00 H+0 HETATM 56 H UNK 0 -1.868 -2.387 -1.680 0.00 0.00 H+0 HETATM 57 H UNK 0 -2.870 1.007 -0.277 0.00 0.00 H+0 HETATM 58 H UNK 0 -3.784 1.452 -2.498 0.00 0.00 H+0 HETATM 59 H UNK 0 -2.175 2.034 -3.010 0.00 0.00 H+0 HETATM 60 H UNK 0 -1.599 4.553 -2.438 0.00 0.00 H+0 HETATM 61 H UNK 0 -2.648 6.837 -3.056 0.00 0.00 H+0 HETATM 62 H UNK 0 -1.972 8.298 -2.275 0.00 0.00 H+0 HETATM 63 H UNK 0 -3.749 7.933 -2.191 0.00 0.00 H+0 HETATM 64 H UNK 0 -4.717 6.552 0.836 0.00 0.00 H+0 HETATM 65 H UNK 0 -6.454 5.174 1.906 0.00 0.00 H+0 HETATM 66 H UNK 0 -6.691 2.801 1.389 0.00 0.00 H+0 HETATM 67 H UNK 0 -5.190 1.740 -0.217 0.00 0.00 H+0 HETATM 68 H UNK 0 -1.106 2.765 -0.518 0.00 0.00 H+0 HETATM 69 H UNK 0 0.233 -0.136 0.910 0.00 0.00 H+0 HETATM 70 H UNK 0 1.396 1.776 1.588 0.00 0.00 H+0 HETATM 71 H UNK 0 2.640 1.607 0.347 0.00 0.00 H+0 HETATM 72 H UNK 0 2.140 -0.379 2.686 0.00 0.00 H+0 HETATM 73 H UNK 0 3.372 0.962 2.726 0.00 0.00 H+0 HETATM 74 H UNK 0 3.369 -1.439 0.799 0.00 0.00 H+0 HETATM 75 H UNK 0 4.353 -1.256 2.244 0.00 0.00 H+0 HETATM 76 H UNK 0 5.420 0.757 1.270 0.00 0.00 H+0 HETATM 77 H UNK 0 4.346 0.621 -0.179 0.00 0.00 H+0 HETATM 78 H UNK 0 5.266 -1.707 -0.581 0.00 0.00 H+0 HETATM 79 H UNK 0 6.320 -1.504 0.854 0.00 0.00 H+0 HETATM 80 H UNK 0 7.475 -1.205 -1.206 0.00 0.00 H+0 HETATM 81 H UNK 0 6.774 0.020 -2.765 0.00 0.00 H+0 HETATM 82 H UNK 0 8.300 -0.124 0.758 0.00 0.00 H+0 HETATM 83 H UNK 0 7.295 1.367 0.466 0.00 0.00 H+0 HETATM 84 H UNK 0 8.465 1.372 -1.895 0.00 0.00 H+0 HETATM 85 H UNK 0 9.409 1.940 -0.426 0.00 0.00 H+0 HETATM 86 H UNK 0 9.641 0.307 -1.089 0.00 0.00 H+0 HETATM 87 H UNK 0 2.507 -0.459 -1.058 0.00 0.00 H+0 HETATM 88 H UNK 0 0.693 -4.134 -0.987 0.00 0.00 H+0 HETATM 89 H UNK 0 2.046 -3.275 1.545 0.00 0.00 H+0 HETATM 90 H UNK 0 2.880 -3.606 -0.085 0.00 0.00 H+0 HETATM 91 H UNK 0 1.538 -5.838 -0.054 0.00 0.00 H+0 HETATM 92 H UNK 0 2.659 -5.619 1.399 0.00 0.00 H+0 HETATM 93 H UNK 0 0.839 -4.597 2.649 0.00 0.00 H+0 HETATM 94 H UNK 0 0.385 -6.291 2.145 0.00 0.00 H+0 HETATM 95 H UNK 0 -1.556 -5.017 1.459 0.00 0.00 H+0 HETATM 96 H UNK 0 -0.566 -5.393 0.057 0.00 0.00 H+0 CONECT 1 2 46 47 48 CONECT 2 1 3 49 50 CONECT 3 2 4 5 51 CONECT 4 3 52 53 54 CONECT 5 3 6 44 55 CONECT 6 5 7 56 CONECT 7 6 8 9 CONECT 8 7 CONECT 9 7 10 22 57 CONECT 10 9 11 58 59 CONECT 11 10 12 21 CONECT 12 11 13 60 CONECT 13 12 14 16 CONECT 14 13 15 CONECT 15 14 61 62 63 CONECT 16 13 17 21 CONECT 17 16 18 64 CONECT 18 17 19 65 CONECT 19 18 20 66 CONECT 20 19 21 67 CONECT 21 20 11 16 CONECT 22 9 23 68 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 35 69 CONECT 26 25 27 70 71 CONECT 27 26 28 72 73 CONECT 28 27 29 74 75 CONECT 29 28 30 76 77 CONECT 30 29 31 78 79 CONECT 31 30 32 33 80 CONECT 32 31 81 CONECT 33 31 34 82 83 CONECT 34 33 84 85 86 CONECT 35 25 36 87 CONECT 36 35 37 38 CONECT 37 36 CONECT 38 36 39 43 88 CONECT 39 38 40 89 90 CONECT 40 39 41 91 92 CONECT 41 40 42 93 94 CONECT 42 41 43 95 96 CONECT 43 42 44 38 CONECT 44 43 45 5 CONECT 45 44 CONECT 46 1 CONECT 47 1 CONECT 48 1 CONECT 49 2 CONECT 50 2 CONECT 51 3 CONECT 52 4 CONECT 53 4 CONECT 54 4 CONECT 55 5 CONECT 56 6 CONECT 57 9 CONECT 58 10 CONECT 59 10 CONECT 60 12 CONECT 61 15 CONECT 62 15 CONECT 63 15 CONECT 64 17 CONECT 65 18 CONECT 66 19 CONECT 67 20 CONECT 68 22 CONECT 69 25 CONECT 70 26 CONECT 71 26 CONECT 72 27 CONECT 73 27 CONECT 74 28 CONECT 75 28 CONECT 76 29 CONECT 77 29 CONECT 78 30 CONECT 79 30 CONECT 80 31 CONECT 81 32 CONECT 82 33 CONECT 83 33 CONECT 84 34 CONECT 85 34 CONECT 86 34 CONECT 87 35 CONECT 88 38 CONECT 89 39 CONECT 90 39 CONECT 91 40 CONECT 92 40 CONECT 93 41 CONECT 94 41 CONECT 95 42 CONECT 96 42 MASTER 0 0 0 0 0 0 0 0 96 0 198 0 END SMILES for NP0004035 (Apicidin D2)[H]O[C@@]([H])(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]1([H])N([H])C(=O)[C@]2([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C1=O)C([H])([H])C1=C([H])N(OC([H])([H])[H])C3=C([H])C([H])=C([H])C([H])=C13)[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H] INCHI for NP0004035 (Apicidin D2)InChI=1S/C34H51N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,24,26-27,29-30,40H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,24-,26-,27-,29+,30-/m0/s1 3D Structure for NP0004035 (Apicidin D2) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C34H51N5O6 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 625.8110 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 625.38393 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (3S,6S,9S,15aR)-9-[(2S)-butan-2-yl]-3-[(6S)-6-hydroxyoctyl]-6-[(1-methoxy-1H-indol-3-yl)methyl]-tetradecahydro-1H-pyrido[1,2-a]1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrone | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (3S,6S,9S,15aR)-9-[(2S)-butan-2-yl]-3-[(6S)-6-hydroxyoctyl]-6-[(1-methoxyindol-3-yl)methyl]-decahydro-2H-pyrido[1,2-a]1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrone | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC[C@H](O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@@H](NC(=O)[C@H](CC2=CN(OC)C3=CC=CC=C23)NC1=O)C(C)CC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C34H51N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,24,26-27,29-30,40H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,24-,26-,27-,29+,30-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | XSKZVBPNWYDMNT-YWHDRAQFSA-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 | NPA016250 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 9192781 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 11017597 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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