Showing NP-Card for (2S, 3S, 4R)-2-[(2'R)-2'-hydroxypentacosanoylamino]-1, 3, 4-octadecanetriol (NP0003423)
Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2020-12-09 00:41:00 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 16:46:23 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0003423 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | (2S, 3S, 4R)-2-[(2'R)-2'-hydroxypentacosanoylamino]-1, 3, 4-octadecanetriol | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | (2S, 3S, 4R)-2-[(2'R)-2'-hydroxypentacosanoylamino]-1, 3, 4-octadecanetriol is found in Grifola, Grifola frondosa and Iotrochota baculifera. It was first documented in 2000 (PMID: 10993238). Based on a literature review very few articles have been published on (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]pentacosanimidic acid. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0003423 ((2S, 3S, 4R)-2-[(2'R)-2'-hydroxypentacosanoylamino]-1, 3, 4-octadecanetriol)Mrv1652307012117093D 136135 0 0 0 0 999 V2000 15.5239 -4.2257 -0.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2661 -4.2418 0.7797 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6107 -2.8946 1.3635 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7071 -1.8621 0.6549 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9962 -0.5142 1.1892 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2522 0.6298 0.6599 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8089 0.8139 0.8865 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9375 -0.2714 0.4073 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4448 0.0667 0.5885 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0865 1.3199 -0.1574 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3601 1.2065 -1.6348 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5860 0.1282 -2.3088 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0701 0.3055 -2.2329 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6392 1.5682 -2.8592 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2422 1.9412 -2.9893 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3144 2.1634 -1.8860 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0186 1.0295 -0.9669 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9161 1.5949 0.0316 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6264 0.4955 0.9907 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7222 0.6976 2.0986 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3111 0.9815 2.1212 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5911 2.1250 1.5902 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4855 2.4089 0.1374 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1872 1.2729 -0.6366 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4461 0.0786 -0.5455 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5876 1.1820 -0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 2.2890 -0.1482 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1079 -0.0212 0.4158 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4719 -0.1576 0.9741 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5051 0.8668 2.0865 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6784 0.9374 2.7912 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4739 -0.0207 -0.0961 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4489 1.2315 -0.7033 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8041 -0.6315 0.0120 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3627 -0.8167 -1.2806 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8231 -0.0624 0.9126 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1904 1.3573 0.6597 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7848 1.6737 -0.6587 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.0933 1.0068 -0.9260 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.1549 1.3931 0.0745 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.5220 0.7343 -0.2675 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.4682 1.1877 0.7810 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.8793 0.8685 0.7518 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.4474 -0.4850 0.7600 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.1457 -1.3402 -0.4098 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.8367 -2.6952 -0.2750 C 0 0 2 0 0 0 0 0 0 0 0 0 -16.3130 -2.4921 -0.2218 C 0 0 1 0 0 0 0 0 0 0 0 0 -17.0715 -3.8228 -0.1268 C 0 0 2 0 0 0 0 0 0 0 0 0 -18.5334 -3.4521 -0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8548 -5.2113 -1.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3004 -3.4458 -0.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5890 -3.9505 -1.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1568 -4.3667 0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8049 -5.0615 1.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4758 -2.8430 2.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6502 -2.6316 1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0618 -1.8970 -0.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7242 -2.2710 0.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9820 -0.5106 2.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1081 -0.3334 0.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4458 0.6348 -0.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7963 1.6036 0.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6904 0.9763 2.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5392 1.8119 0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0488 -1.1181 1.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1888 -0.6727 -0.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8866 -0.7964 0.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2139 0.2094 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5254 2.2101 0.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9759 1.4211 -0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4382 0.9430 -1.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1892 2.1550 -2.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8147 -0.8837 -1.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8355 0.1186 -3.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 0.1329 -1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6676 -0.5550 -2.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0721 1.5482 -3.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1751 2.4154 -2.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2432 2.9195 -3.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7144 1.2485 -3.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3024 2.5036 -2.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6133 3.0774 -1.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6294 0.1299 -1.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8698 0.7742 -0.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0677 1.7532 -0.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3067 2.4935 0.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6346 0.0995 1.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3287 -0.4456 0.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2251 1.5196 2.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8414 -0.2352 2.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9357 0.8992 3.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7958 -0.0039 1.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 2.1653 2.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0402 3.0773 2.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2946 2.9016 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3655 3.2233 0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 1.6359 -1.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1137 -0.5349 -1.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4651 -0.8516 0.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4648 -1.1889 1.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1803 1.8715 1.7484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7323 0.5605 2.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7550 1.7906 3.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9882 -0.6645 -0.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7493 1.1423 -1.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6474 -1.6998 0.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5933 -1.0751 -1.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7647 -0.2876 1.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7972 -0.6327 0.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3550 2.0709 0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9660 1.6276 1.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1040 1.5144 -1.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9962 2.7847 -0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4890 1.3306 -1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0054 -0.1061 -1.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8539 1.0384 1.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2925 2.4905 0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8016 1.0343 -1.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3044 -0.3574 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3824 2.3256 0.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0524 0.9080 1.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3520 1.4732 -0.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3534 1.4587 1.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2819 -1.0263 1.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5868 -0.3638 0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5595 -0.8114 -1.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0946 -1.5172 -0.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5029 -3.2198 0.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6095 -3.3381 -1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6319 -1.9510 0.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7232 -1.9403 -1.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7978 -4.3552 0.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8647 -4.4014 -1.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.1239 -4.2379 0.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9180 -3.3044 -1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6239 -2.4734 0.4400 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 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 0 0 0 0 10 11 1 0 0 0 0 11 12 1 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 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 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 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 29 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 34 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 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 1 0 0 0 0 45 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 1 50 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 2 53 1 0 0 0 0 2 54 1 0 0 0 0 3 55 1 0 0 0 0 3 56 1 0 0 0 0 4 57 1 0 0 0 0 4 58 1 0 0 0 0 5 59 1 0 0 0 0 5 60 1 0 0 0 0 6 61 1 0 0 0 0 6 62 1 0 0 0 0 7 63 1 0 0 0 0 7 64 1 0 0 0 0 8 65 1 0 0 0 0 8 66 1 0 0 0 0 9 67 1 0 0 0 0 9 68 1 0 0 0 0 10 69 1 0 0 0 0 10 70 1 0 0 0 0 11 71 1 0 0 0 0 11 72 1 0 0 0 0 12 73 1 0 0 0 0 12 74 1 0 0 0 0 13 75 1 0 0 0 0 13 76 1 0 0 0 0 14 77 1 0 0 0 0 14 78 1 0 0 0 0 15 79 1 0 0 0 0 15 80 1 0 0 0 0 16 81 1 0 0 0 0 16 82 1 0 0 0 0 17 83 1 0 0 0 0 17 84 1 0 0 0 0 18 85 1 0 0 0 0 18 86 1 0 0 0 0 19 87 1 0 0 0 0 19 88 1 0 0 0 0 20 89 1 0 0 0 0 20 90 1 0 0 0 0 21 91 1 0 0 0 0 21 92 1 0 0 0 0 22 93 1 0 0 0 0 22 94 1 0 0 0 0 23 95 1 0 0 0 0 23 96 1 0 0 0 0 24 97 1 6 0 0 0 25 98 1 0 0 0 0 28 99 1 0 0 0 0 29100 1 1 0 0 0 30101 1 0 0 0 0 30102 1 0 0 0 0 31103 1 0 0 0 0 32104 1 6 0 0 0 33105 1 0 0 0 0 34106 1 1 0 0 0 35107 1 0 0 0 0 36108 1 0 0 0 0 36109 1 0 0 0 0 37110 1 0 0 0 0 37111 1 0 0 0 0 38112 1 0 0 0 0 38113 1 0 0 0 0 39114 1 0 0 0 0 39115 1 0 0 0 0 40116 1 0 0 0 0 40117 1 0 0 0 0 41118 1 0 0 0 0 41119 1 0 0 0 0 42120 1 0 0 0 0 42121 1 0 0 0 0 43122 1 0 0 0 0 43123 1 0 0 0 0 44124 1 0 0 0 0 44125 1 0 0 0 0 45126 1 0 0 0 0 45127 1 0 0 0 0 46128 1 0 0 0 0 46129 1 0 0 0 0 47130 1 0 0 0 0 47131 1 0 0 0 0 48132 1 0 0 0 0 48133 1 0 0 0 0 49134 1 0 0 0 0 49135 1 0 0 0 0 49136 1 0 0 0 0 M END 3D MOL for NP0003423 ((2S, 3S, 4R)-2-[(2'R)-2'-hydroxypentacosanoylamino]-1, 3, 4-octadecanetriol)RDKit 3D 136135 0 0 0 0 0 0 0 0999 V2000 15.5239 -4.2257 -0.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2661 -4.2418 0.7797 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6107 -2.8946 1.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7071 -1.8621 0.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9962 -0.5142 1.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2522 0.6298 0.6599 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8089 0.8139 0.8865 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9375 -0.2714 0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4448 0.0667 0.5885 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0865 1.3199 -0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3601 1.2065 -1.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5860 0.1282 -2.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0701 0.3055 -2.2329 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6392 1.5682 -2.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2422 1.9412 -2.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3144 2.1634 -1.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0186 1.0295 -0.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9161 1.5949 0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6264 0.4955 0.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7222 0.6976 2.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3111 0.9815 2.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5911 2.1250 1.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4855 2.4089 0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1872 1.2729 -0.6366 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4461 0.0786 -0.5455 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5876 1.1820 -0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 2.2890 -0.1482 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1079 -0.0212 0.4158 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4719 -0.1576 0.9741 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5051 0.8668 2.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6784 0.9374 2.7912 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4739 -0.0207 -0.0961 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4489 1.2315 -0.7033 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8041 -0.6315 0.0120 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3627 -0.8167 -1.2806 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8231 -0.0624 0.9126 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1904 1.3573 0.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7848 1.6737 -0.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0933 1.0068 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1549 1.3931 0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5220 0.7343 -0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4682 1.1877 0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8793 0.8685 0.7518 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4474 -0.4850 0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1457 -1.3402 -0.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8367 -2.6952 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3130 -2.4921 -0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0715 -3.8228 -0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5334 -3.4521 -0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8548 -5.2113 -1.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3004 -3.4458 -0.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5890 -3.9505 -1.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1568 -4.3667 0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8049 -5.0615 1.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4758 -2.8430 2.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6502 -2.6316 1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0618 -1.8970 -0.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7242 -2.2710 0.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9820 -0.5106 2.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1081 -0.3334 0.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4458 0.6348 -0.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7963 1.6036 0.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6904 0.9763 2.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5392 1.8119 0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0488 -1.1181 1.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1888 -0.6727 -0.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8866 -0.7964 0.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2139 0.2094 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5254 2.2101 0.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9759 1.4211 -0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4382 0.9430 -1.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1892 2.1550 -2.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8147 -0.8837 -1.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8355 0.1186 -3.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 0.1329 -1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6676 -0.5550 -2.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0721 1.5482 -3.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1751 2.4154 -2.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2432 2.9195 -3.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7144 1.2485 -3.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3024 2.5036 -2.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6133 3.0774 -1.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6294 0.1299 -1.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8698 0.7742 -0.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0677 1.7532 -0.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3067 2.4935 0.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6346 0.0995 1.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3287 -0.4456 0.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2251 1.5196 2.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8414 -0.2352 2.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9357 0.8992 3.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7958 -0.0039 1.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 2.1653 2.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0402 3.0773 2.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2946 2.9016 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3655 3.2233 0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 1.6359 -1.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1137 -0.5349 -1.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4651 -0.8516 0.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4648 -1.1889 1.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1803 1.8715 1.7484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7323 0.5605 2.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7550 1.7906 3.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9882 -0.6645 -0.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7493 1.1423 -1.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6474 -1.6998 0.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5933 -1.0751 -1.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7647 -0.2876 1.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7972 -0.6327 0.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3550 2.0709 0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9660 1.6276 1.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1040 1.5144 -1.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9962 2.7847 -0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4890 1.3306 -1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0054 -0.1061 -1.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8539 1.0384 1.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2925 2.4905 0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8016 1.0343 -1.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3044 -0.3574 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3824 2.3256 0.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0524 0.9080 1.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3520 1.4732 -0.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3534 1.4587 1.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2819 -1.0263 1.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5868 -0.3638 0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5595 -0.8114 -1.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0946 -1.5172 -0.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5029 -3.2198 0.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6095 -3.3381 -1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6319 -1.9510 0.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7232 -1.9403 -1.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7978 -4.3552 0.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8647 -4.4014 -1.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.1239 -4.2379 0.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9180 -3.3044 -1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6239 -2.4734 0.4400 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 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 29 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 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 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 6 62 1 0 7 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 9 68 1 0 10 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 22 93 1 0 22 94 1 0 23 95 1 0 23 96 1 0 24 97 1 6 25 98 1 0 28 99 1 0 29100 1 1 30101 1 0 30102 1 0 31103 1 0 32104 1 6 33105 1 0 34106 1 1 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 49136 1 0 M END 3D SDF for NP0003423 ((2S, 3S, 4R)-2-[(2'R)-2'-hydroxypentacosanoylamino]-1, 3, 4-octadecanetriol)Mrv1652307012117093D 136135 0 0 0 0 999 V2000 15.5239 -4.2257 -0.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2661 -4.2418 0.7797 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6107 -2.8946 1.3635 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7071 -1.8621 0.6549 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9962 -0.5142 1.1892 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2522 0.6298 0.6599 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8089 0.8139 0.8865 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9375 -0.2714 0.4073 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4448 0.0667 0.5885 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0865 1.3199 -0.1574 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3601 1.2065 -1.6348 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5860 0.1282 -2.3088 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0701 0.3055 -2.2329 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6392 1.5682 -2.8592 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2422 1.9412 -2.9893 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3144 2.1634 -1.8860 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0186 1.0295 -0.9669 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9161 1.5949 0.0316 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6264 0.4955 0.9907 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7222 0.6976 2.0986 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3111 0.9815 2.1212 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5911 2.1250 1.5902 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4855 2.4089 0.1374 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1872 1.2729 -0.6366 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4461 0.0786 -0.5455 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5876 1.1820 -0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 2.2890 -0.1482 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1079 -0.0212 0.4158 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4719 -0.1576 0.9741 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5051 0.8668 2.0865 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6784 0.9374 2.7912 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4739 -0.0207 -0.0961 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4489 1.2315 -0.7033 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8041 -0.6315 0.0120 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3627 -0.8167 -1.2806 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8231 -0.0624 0.9126 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1904 1.3573 0.6597 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7848 1.6737 -0.6587 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.0933 1.0068 -0.9260 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.1549 1.3931 0.0745 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.5220 0.7343 -0.2675 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.4682 1.1877 0.7810 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.8793 0.8685 0.7518 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.4474 -0.4850 0.7600 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.1457 -1.3402 -0.4098 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.8367 -2.6952 -0.2750 C 0 0 2 0 0 0 0 0 0 0 0 0 -16.3130 -2.4921 -0.2218 C 0 0 1 0 0 0 0 0 0 0 0 0 -17.0715 -3.8228 -0.1268 C 0 0 2 0 0 0 0 0 0 0 0 0 -18.5334 -3.4521 -0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8548 -5.2113 -1.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3004 -3.4458 -0.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5890 -3.9505 -1.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1568 -4.3667 0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8049 -5.0615 1.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4758 -2.8430 2.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6502 -2.6316 1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0618 -1.8970 -0.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7242 -2.2710 0.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9820 -0.5106 2.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1081 -0.3334 0.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4458 0.6348 -0.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7963 1.6036 0.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6904 0.9763 2.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5392 1.8119 0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0488 -1.1181 1.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1888 -0.6727 -0.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8866 -0.7964 0.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2139 0.2094 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5254 2.2101 0.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9759 1.4211 -0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4382 0.9430 -1.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1892 2.1550 -2.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8147 -0.8837 -1.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8355 0.1186 -3.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 0.1329 -1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6676 -0.5550 -2.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0721 1.5482 -3.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1751 2.4154 -2.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2432 2.9195 -3.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7144 1.2485 -3.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3024 2.5036 -2.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6133 3.0774 -1.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6294 0.1299 -1.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8698 0.7742 -0.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0677 1.7532 -0.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3067 2.4935 0.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6346 0.0995 1.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3287 -0.4456 0.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2251 1.5196 2.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8414 -0.2352 2.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9357 0.8992 3.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7958 -0.0039 1.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 2.1653 2.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0402 3.0773 2.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2946 2.9016 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3655 3.2233 0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 1.6359 -1.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1137 -0.5349 -1.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4651 -0.8516 0.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4648 -1.1889 1.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1803 1.8715 1.7484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7323 0.5605 2.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7550 1.7906 3.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9882 -0.6645 -0.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7493 1.1423 -1.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6474 -1.6998 0.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5933 -1.0751 -1.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7647 -0.2876 1.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7972 -0.6327 0.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3550 2.0709 0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9660 1.6276 1.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1040 1.5144 -1.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9962 2.7847 -0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4890 1.3306 -1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0054 -0.1061 -1.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8539 1.0384 1.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2925 2.4905 0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8016 1.0343 -1.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3044 -0.3574 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3824 2.3256 0.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0524 0.9080 1.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3520 1.4732 -0.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3534 1.4587 1.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2819 -1.0263 1.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5868 -0.3638 0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5595 -0.8114 -1.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0946 -1.5172 -0.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5029 -3.2198 0.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6095 -3.3381 -1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6319 -1.9510 0.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7232 -1.9403 -1.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7978 -4.3552 0.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8647 -4.4014 -1.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.1239 -4.2379 0.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9180 -3.3044 -1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6239 -2.4734 0.4400 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 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 0 0 0 0 10 11 1 0 0 0 0 11 12 1 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 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 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 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 29 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 34 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 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 1 0 0 0 0 45 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 1 50 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 2 53 1 0 0 0 0 2 54 1 0 0 0 0 3 55 1 0 0 0 0 3 56 1 0 0 0 0 4 57 1 0 0 0 0 4 58 1 0 0 0 0 5 59 1 0 0 0 0 5 60 1 0 0 0 0 6 61 1 0 0 0 0 6 62 1 0 0 0 0 7 63 1 0 0 0 0 7 64 1 0 0 0 0 8 65 1 0 0 0 0 8 66 1 0 0 0 0 9 67 1 0 0 0 0 9 68 1 0 0 0 0 10 69 1 0 0 0 0 10 70 1 0 0 0 0 11 71 1 0 0 0 0 11 72 1 0 0 0 0 12 73 1 0 0 0 0 12 74 1 0 0 0 0 13 75 1 0 0 0 0 13 76 1 0 0 0 0 14 77 1 0 0 0 0 14 78 1 0 0 0 0 15 79 1 0 0 0 0 15 80 1 0 0 0 0 16 81 1 0 0 0 0 16 82 1 0 0 0 0 17 83 1 0 0 0 0 17 84 1 0 0 0 0 18 85 1 0 0 0 0 18 86 1 0 0 0 0 19 87 1 0 0 0 0 19 88 1 0 0 0 0 20 89 1 0 0 0 0 20 90 1 0 0 0 0 21 91 1 0 0 0 0 21 92 1 0 0 0 0 22 93 1 0 0 0 0 22 94 1 0 0 0 0 23 95 1 0 0 0 0 23 96 1 0 0 0 0 24 97 1 6 0 0 0 25 98 1 0 0 0 0 28 99 1 0 0 0 0 29100 1 1 0 0 0 30101 1 0 0 0 0 30102 1 0 0 0 0 31103 1 0 0 0 0 32104 1 6 0 0 0 33105 1 0 0 0 0 34106 1 1 0 0 0 35107 1 0 0 0 0 36108 1 0 0 0 0 36109 1 0 0 0 0 37110 1 0 0 0 0 37111 1 0 0 0 0 38112 1 0 0 0 0 38113 1 0 0 0 0 39114 1 0 0 0 0 39115 1 0 0 0 0 40116 1 0 0 0 0 40117 1 0 0 0 0 41118 1 0 0 0 0 41119 1 0 0 0 0 42120 1 0 0 0 0 42121 1 0 0 0 0 43122 1 0 0 0 0 43123 1 0 0 0 0 44124 1 0 0 0 0 44125 1 0 0 0 0 45126 1 0 0 0 0 45127 1 0 0 0 0 46128 1 0 0 0 0 46129 1 0 0 0 0 47130 1 0 0 0 0 47131 1 0 0 0 0 48132 1 0 0 0 0 48133 1 0 0 0 0 49134 1 0 0 0 0 49135 1 0 0 0 0 49136 1 0 0 0 0 M END > <DATABASE_ID> NP0003423 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC([H])([H])[C@]([H])(N([H])C(=O)[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C43H87NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(47)43(49)44-39(38-45)42(48)40(46)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h39-42,45-48H,3-38H2,1-2H3,(H,44,49)/t39-,40+,41+,42-/m0/s1 > <INCHI_KEY> YADUGDLSXPPFIP-YIEWKAQUSA-N > <FORMULA> C43H87NO5 > <MOLECULAR_WEIGHT> 698.171 > <EXACT_MASS> 697.658424905 > <JCHEM_ACCEPTOR_COUNT> 5 > <JCHEM_ATOM_COUNT> 136 > <JCHEM_AVERAGE_POLARIZABILITY> 90.98701531082295 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 5 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]pentacosanamide > <ALOGPS_LOGP> 9.51 > <JCHEM_LOGP> 13.126517797666668 > <ALOGPS_LOGS> -7.02 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 0 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 13.42438895494546 > <JCHEM_PKA_STRONGEST_ACIDIC> 12.696305495085273 > <JCHEM_PKA_STRONGEST_BASIC> -2.7917255790393964 > <JCHEM_POLAR_SURFACE_AREA> 110.02000000000001 > <JCHEM_REFRACTIVITY> 209.0758 > <JCHEM_ROTATABLE_BOND_COUNT> 40 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 6.60e-05 g/l > <JCHEM_TRADITIONAL_IUPAC> (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]pentacosanamide > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0003423 ((2S, 3S, 4R)-2-[(2'R)-2'-hydroxypentacosanoylamino]-1, 3, 4-octadecanetriol)RDKit 3D 136135 0 0 0 0 0 0 0 0999 V2000 15.5239 -4.2257 -0.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2661 -4.2418 0.7797 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6107 -2.8946 1.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7071 -1.8621 0.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9962 -0.5142 1.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2522 0.6298 0.6599 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8089 0.8139 0.8865 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9375 -0.2714 0.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4448 0.0667 0.5885 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0865 1.3199 -0.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3601 1.2065 -1.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5860 0.1282 -2.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0701 0.3055 -2.2329 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6392 1.5682 -2.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2422 1.9412 -2.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3144 2.1634 -1.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0186 1.0295 -0.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9161 1.5949 0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6264 0.4955 0.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7222 0.6976 2.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3111 0.9815 2.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5911 2.1250 1.5902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4855 2.4089 0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1872 1.2729 -0.6366 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4461 0.0786 -0.5455 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5876 1.1820 -0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 2.2890 -0.1482 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1079 -0.0212 0.4158 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4719 -0.1576 0.9741 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5051 0.8668 2.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6784 0.9374 2.7912 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4739 -0.0207 -0.0961 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4489 1.2315 -0.7033 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8041 -0.6315 0.0120 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3627 -0.8167 -1.2806 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8231 -0.0624 0.9126 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1904 1.3573 0.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7848 1.6737 -0.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0933 1.0068 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1549 1.3931 0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5220 0.7343 -0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4682 1.1877 0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8793 0.8685 0.7518 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4474 -0.4850 0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1457 -1.3402 -0.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8367 -2.6952 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3130 -2.4921 -0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0715 -3.8228 -0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5334 -3.4521 -0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8548 -5.2113 -1.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3004 -3.4458 -0.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5890 -3.9505 -1.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1568 -4.3667 0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8049 -5.0615 1.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4758 -2.8430 2.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6502 -2.6316 1.0913 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0618 -1.8970 -0.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7242 -2.2710 0.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9820 -0.5106 2.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1081 -0.3334 0.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4458 0.6348 -0.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7963 1.6036 0.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6904 0.9763 2.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5392 1.8119 0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0488 -1.1181 1.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1888 -0.6727 -0.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8866 -0.7964 0.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2139 0.2094 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5254 2.2101 0.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9759 1.4211 -0.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4382 0.9430 -1.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1892 2.1550 -2.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8147 -0.8837 -1.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8355 0.1186 -3.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 0.1329 -1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6676 -0.5550 -2.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0721 1.5482 -3.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1751 2.4154 -2.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2432 2.9195 -3.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7144 1.2485 -3.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3024 2.5036 -2.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6133 3.0774 -1.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6294 0.1299 -1.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8698 0.7742 -0.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0677 1.7532 -0.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3067 2.4935 0.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6346 0.0995 1.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3287 -0.4456 0.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2251 1.5196 2.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8414 -0.2352 2.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9357 0.8992 3.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7958 -0.0039 1.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 2.1653 2.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0402 3.0773 2.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2946 2.9016 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3655 3.2233 0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 1.6359 -1.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1137 -0.5349 -1.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4651 -0.8516 0.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4648 -1.1889 1.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1803 1.8715 1.7484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7323 0.5605 2.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7550 1.7906 3.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9882 -0.6645 -0.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7493 1.1423 -1.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6474 -1.6998 0.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5933 -1.0751 -1.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7647 -0.2876 1.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7972 -0.6327 0.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3550 2.0709 0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9660 1.6276 1.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1040 1.5144 -1.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9962 2.7847 -0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4890 1.3306 -1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0054 -0.1061 -1.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8539 1.0384 1.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2925 2.4905 0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8016 1.0343 -1.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3044 -0.3574 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3824 2.3256 0.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0524 0.9080 1.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3520 1.4732 -0.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3534 1.4587 1.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2819 -1.0263 1.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5868 -0.3638 0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5595 -0.8114 -1.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0946 -1.5172 -0.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5029 -3.2198 0.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6095 -3.3381 -1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6319 -1.9510 0.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7232 -1.9403 -1.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7978 -4.3552 0.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8647 -4.4014 -1.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.1239 -4.2379 0.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9180 -3.3044 -1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6239 -2.4734 0.4400 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 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 29 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 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 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 6 62 1 0 7 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 9 68 1 0 10 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 22 93 1 0 22 94 1 0 23 95 1 0 23 96 1 0 24 97 1 6 25 98 1 0 28 99 1 0 29100 1 1 30101 1 0 30102 1 0 31103 1 0 32104 1 6 33105 1 0 34106 1 1 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 49136 1 0 M END PDB for NP0003423 ((2S, 3S, 4R)-2-[(2'R)-2'-hydroxypentacosanoylamino]-1, 3, 4-octadecanetriol)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 15.524 -4.226 -0.702 0.00 0.00 C+0 HETATM 2 C UNK 0 15.266 -4.242 0.780 0.00 0.00 C+0 HETATM 3 C UNK 0 15.611 -2.895 1.363 0.00 0.00 C+0 HETATM 4 C UNK 0 14.707 -1.862 0.655 0.00 0.00 C+0 HETATM 5 C UNK 0 14.996 -0.514 1.189 0.00 0.00 C+0 HETATM 6 C UNK 0 14.252 0.630 0.660 0.00 0.00 C+0 HETATM 7 C UNK 0 12.809 0.814 0.887 0.00 0.00 C+0 HETATM 8 C UNK 0 11.938 -0.271 0.407 0.00 0.00 C+0 HETATM 9 C UNK 0 10.445 0.067 0.589 0.00 0.00 C+0 HETATM 10 C UNK 0 10.086 1.320 -0.157 0.00 0.00 C+0 HETATM 11 C UNK 0 10.360 1.206 -1.635 0.00 0.00 C+0 HETATM 12 C UNK 0 9.586 0.128 -2.309 0.00 0.00 C+0 HETATM 13 C UNK 0 8.070 0.306 -2.233 0.00 0.00 C+0 HETATM 14 C UNK 0 7.639 1.568 -2.859 0.00 0.00 C+0 HETATM 15 C UNK 0 6.242 1.941 -2.989 0.00 0.00 C+0 HETATM 16 C UNK 0 5.314 2.163 -1.886 0.00 0.00 C+0 HETATM 17 C UNK 0 5.019 1.030 -0.967 0.00 0.00 C+0 HETATM 18 C UNK 0 3.916 1.595 0.032 0.00 0.00 C+0 HETATM 19 C UNK 0 3.626 0.496 0.991 0.00 0.00 C+0 HETATM 20 C UNK 0 2.722 0.698 2.099 0.00 0.00 C+0 HETATM 21 C UNK 0 1.311 0.982 2.121 0.00 0.00 C+0 HETATM 22 C UNK 0 0.591 2.125 1.590 0.00 0.00 C+0 HETATM 23 C UNK 0 0.486 2.409 0.137 0.00 0.00 C+0 HETATM 24 C UNK 0 -0.187 1.273 -0.637 0.00 0.00 C+0 HETATM 25 O UNK 0 0.446 0.079 -0.546 0.00 0.00 O+0 HETATM 26 C UNK 0 -1.588 1.182 -0.091 0.00 0.00 C+0 HETATM 27 O UNK 0 -2.197 2.289 -0.148 0.00 0.00 O+0 HETATM 28 N UNK 0 -2.108 -0.021 0.416 0.00 0.00 N+0 HETATM 29 C UNK 0 -3.472 -0.158 0.974 0.00 0.00 C+0 HETATM 30 C UNK 0 -3.505 0.867 2.087 0.00 0.00 C+0 HETATM 31 O UNK 0 -4.678 0.937 2.791 0.00 0.00 O+0 HETATM 32 C UNK 0 -4.474 -0.021 -0.096 0.00 0.00 C+0 HETATM 33 O UNK 0 -4.449 1.232 -0.703 0.00 0.00 O+0 HETATM 34 C UNK 0 -5.804 -0.632 0.012 0.00 0.00 C+0 HETATM 35 O UNK 0 -6.363 -0.817 -1.281 0.00 0.00 O+0 HETATM 36 C UNK 0 -6.823 -0.062 0.913 0.00 0.00 C+0 HETATM 37 C UNK 0 -7.190 1.357 0.660 0.00 0.00 C+0 HETATM 38 C UNK 0 -7.785 1.674 -0.659 0.00 0.00 C+0 HETATM 39 C UNK 0 -9.093 1.007 -0.926 0.00 0.00 C+0 HETATM 40 C UNK 0 -10.155 1.393 0.075 0.00 0.00 C+0 HETATM 41 C UNK 0 -11.522 0.734 -0.268 0.00 0.00 C+0 HETATM 42 C UNK 0 -12.468 1.188 0.781 0.00 0.00 C+0 HETATM 43 C UNK 0 -13.879 0.869 0.752 0.00 0.00 C+0 HETATM 44 C UNK 0 -14.447 -0.485 0.760 0.00 0.00 C+0 HETATM 45 C UNK 0 -14.146 -1.340 -0.410 0.00 0.00 C+0 HETATM 46 C UNK 0 -14.837 -2.695 -0.275 0.00 0.00 C+0 HETATM 47 C UNK 0 -16.313 -2.492 -0.222 0.00 0.00 C+0 HETATM 48 C UNK 0 -17.072 -3.823 -0.127 0.00 0.00 C+0 HETATM 49 C UNK 0 -18.533 -3.452 -0.084 0.00 0.00 C+0 HETATM 50 H UNK 0 15.855 -5.211 -1.068 0.00 0.00 H+0 HETATM 51 H UNK 0 16.300 -3.446 -0.876 0.00 0.00 H+0 HETATM 52 H UNK 0 14.589 -3.950 -1.223 0.00 0.00 H+0 HETATM 53 H UNK 0 14.157 -4.367 0.930 0.00 0.00 H+0 HETATM 54 H UNK 0 15.805 -5.061 1.299 0.00 0.00 H+0 HETATM 55 H UNK 0 15.476 -2.843 2.444 0.00 0.00 H+0 HETATM 56 H UNK 0 16.650 -2.632 1.091 0.00 0.00 H+0 HETATM 57 H UNK 0 15.062 -1.897 -0.431 0.00 0.00 H+0 HETATM 58 H UNK 0 13.724 -2.271 0.678 0.00 0.00 H+0 HETATM 59 H UNK 0 14.982 -0.511 2.328 0.00 0.00 H+0 HETATM 60 H UNK 0 16.108 -0.333 0.976 0.00 0.00 H+0 HETATM 61 H UNK 0 14.446 0.635 -0.489 0.00 0.00 H+0 HETATM 62 H UNK 0 14.796 1.604 0.926 0.00 0.00 H+0 HETATM 63 H UNK 0 12.690 0.976 2.020 0.00 0.00 H+0 HETATM 64 H UNK 0 12.539 1.812 0.414 0.00 0.00 H+0 HETATM 65 H UNK 0 12.049 -1.118 1.174 0.00 0.00 H+0 HETATM 66 H UNK 0 12.189 -0.673 -0.554 0.00 0.00 H+0 HETATM 67 H UNK 0 9.887 -0.796 0.207 0.00 0.00 H+0 HETATM 68 H UNK 0 10.214 0.209 1.656 0.00 0.00 H+0 HETATM 69 H UNK 0 10.525 2.210 0.298 0.00 0.00 H+0 HETATM 70 H UNK 0 8.976 1.421 -0.067 0.00 0.00 H+0 HETATM 71 H UNK 0 11.438 0.943 -1.736 0.00 0.00 H+0 HETATM 72 H UNK 0 10.189 2.155 -2.157 0.00 0.00 H+0 HETATM 73 H UNK 0 9.815 -0.884 -1.902 0.00 0.00 H+0 HETATM 74 H UNK 0 9.835 0.119 -3.384 0.00 0.00 H+0 HETATM 75 H UNK 0 7.775 0.133 -1.204 0.00 0.00 H+0 HETATM 76 H UNK 0 7.668 -0.555 -2.853 0.00 0.00 H+0 HETATM 77 H UNK 0 8.072 1.548 -3.926 0.00 0.00 H+0 HETATM 78 H UNK 0 8.175 2.415 -2.318 0.00 0.00 H+0 HETATM 79 H UNK 0 6.243 2.920 -3.624 0.00 0.00 H+0 HETATM 80 H UNK 0 5.714 1.248 -3.754 0.00 0.00 H+0 HETATM 81 H UNK 0 4.302 2.504 -2.294 0.00 0.00 H+0 HETATM 82 H UNK 0 5.613 3.077 -1.272 0.00 0.00 H+0 HETATM 83 H UNK 0 4.629 0.130 -1.436 0.00 0.00 H+0 HETATM 84 H UNK 0 5.870 0.774 -0.324 0.00 0.00 H+0 HETATM 85 H UNK 0 3.068 1.753 -0.636 0.00 0.00 H+0 HETATM 86 H UNK 0 4.307 2.494 0.500 0.00 0.00 H+0 HETATM 87 H UNK 0 4.635 0.100 1.414 0.00 0.00 H+0 HETATM 88 H UNK 0 3.329 -0.446 0.383 0.00 0.00 H+0 HETATM 89 H UNK 0 3.225 1.520 2.790 0.00 0.00 H+0 HETATM 90 H UNK 0 2.841 -0.235 2.808 0.00 0.00 H+0 HETATM 91 H UNK 0 0.936 0.899 3.245 0.00 0.00 H+0 HETATM 92 H UNK 0 0.796 -0.004 1.716 0.00 0.00 H+0 HETATM 93 H UNK 0 -0.476 2.165 2.012 0.00 0.00 H+0 HETATM 94 H UNK 0 1.040 3.077 2.073 0.00 0.00 H+0 HETATM 95 H UNK 0 1.295 2.902 -0.361 0.00 0.00 H+0 HETATM 96 H UNK 0 -0.366 3.223 0.075 0.00 0.00 H+0 HETATM 97 H UNK 0 -0.212 1.636 -1.704 0.00 0.00 H+0 HETATM 98 H UNK 0 0.114 -0.535 -1.246 0.00 0.00 H+0 HETATM 99 H UNK 0 -1.465 -0.852 0.382 0.00 0.00 H+0 HETATM 100 H UNK 0 -3.465 -1.189 1.442 0.00 0.00 H+0 HETATM 101 H UNK 0 -3.180 1.871 1.748 0.00 0.00 H+0 HETATM 102 H UNK 0 -2.732 0.561 2.876 0.00 0.00 H+0 HETATM 103 H UNK 0 -4.755 1.791 3.281 0.00 0.00 H+0 HETATM 104 H UNK 0 -3.988 -0.665 -0.967 0.00 0.00 H+0 HETATM 105 H UNK 0 -4.749 1.142 -1.658 0.00 0.00 H+0 HETATM 106 H UNK 0 -5.647 -1.700 0.366 0.00 0.00 H+0 HETATM 107 H UNK 0 -5.593 -1.075 -1.862 0.00 0.00 H+0 HETATM 108 H UNK 0 -6.765 -0.288 1.963 0.00 0.00 H+0 HETATM 109 H UNK 0 -7.797 -0.633 0.606 0.00 0.00 H+0 HETATM 110 H UNK 0 -6.355 2.071 0.933 0.00 0.00 H+0 HETATM 111 H UNK 0 -7.966 1.628 1.441 0.00 0.00 H+0 HETATM 112 H UNK 0 -7.104 1.514 -1.519 0.00 0.00 H+0 HETATM 113 H UNK 0 -7.996 2.785 -0.665 0.00 0.00 H+0 HETATM 114 H UNK 0 -9.489 1.331 -1.931 0.00 0.00 H+0 HETATM 115 H UNK 0 -9.005 -0.106 -1.009 0.00 0.00 H+0 HETATM 116 H UNK 0 -9.854 1.038 1.084 0.00 0.00 H+0 HETATM 117 H UNK 0 -10.293 2.490 0.037 0.00 0.00 H+0 HETATM 118 H UNK 0 -11.802 1.034 -1.288 0.00 0.00 H+0 HETATM 119 H UNK 0 -11.304 -0.357 -0.282 0.00 0.00 H+0 HETATM 120 H UNK 0 -12.382 2.326 0.835 0.00 0.00 H+0 HETATM 121 H UNK 0 -12.052 0.908 1.813 0.00 0.00 H+0 HETATM 122 H UNK 0 -14.352 1.473 -0.120 0.00 0.00 H+0 HETATM 123 H UNK 0 -14.353 1.459 1.636 0.00 0.00 H+0 HETATM 124 H UNK 0 -14.282 -1.026 1.739 0.00 0.00 H+0 HETATM 125 H UNK 0 -15.587 -0.364 0.763 0.00 0.00 H+0 HETATM 126 H UNK 0 -14.559 -0.811 -1.316 0.00 0.00 H+0 HETATM 127 H UNK 0 -13.095 -1.517 -0.646 0.00 0.00 H+0 HETATM 128 H UNK 0 -14.503 -3.220 0.632 0.00 0.00 H+0 HETATM 129 H UNK 0 -14.610 -3.338 -1.140 0.00 0.00 H+0 HETATM 130 H UNK 0 -16.632 -1.951 0.704 0.00 0.00 H+0 HETATM 131 H UNK 0 -16.723 -1.940 -1.078 0.00 0.00 H+0 HETATM 132 H UNK 0 -16.798 -4.355 0.804 0.00 0.00 H+0 HETATM 133 H UNK 0 -16.865 -4.401 -1.045 0.00 0.00 H+0 HETATM 134 H UNK 0 -19.124 -4.238 0.446 0.00 0.00 H+0 HETATM 135 H UNK 0 -18.918 -3.304 -1.113 0.00 0.00 H+0 HETATM 136 H UNK 0 -18.624 -2.473 0.440 0.00 0.00 H+0 CONECT 1 2 50 51 52 CONECT 2 1 3 53 54 CONECT 3 2 4 55 56 CONECT 4 3 5 57 58 CONECT 5 4 6 59 60 CONECT 6 5 7 61 62 CONECT 7 6 8 63 64 CONECT 8 7 9 65 66 CONECT 9 8 10 67 68 CONECT 10 9 11 69 70 CONECT 11 10 12 71 72 CONECT 12 11 13 73 74 CONECT 13 12 14 75 76 CONECT 14 13 15 77 78 CONECT 15 14 16 79 80 CONECT 16 15 17 81 82 CONECT 17 16 18 83 84 CONECT 18 17 19 85 86 CONECT 19 18 20 87 88 CONECT 20 19 21 89 90 CONECT 21 20 22 91 92 CONECT 22 21 23 93 94 CONECT 23 22 24 95 96 CONECT 24 23 25 26 97 CONECT 25 24 98 CONECT 26 24 27 28 CONECT 27 26 CONECT 28 26 29 99 CONECT 29 28 30 32 100 CONECT 30 29 31 101 102 CONECT 31 30 103 CONECT 32 29 33 34 104 CONECT 33 32 105 CONECT 34 32 35 36 106 CONECT 35 34 107 CONECT 36 34 37 108 109 CONECT 37 36 38 110 111 CONECT 38 37 39 112 113 CONECT 39 38 40 114 115 CONECT 40 39 41 116 117 CONECT 41 40 42 118 119 CONECT 42 41 43 120 121 CONECT 43 42 44 122 123 CONECT 44 43 45 124 125 CONECT 45 44 46 126 127 CONECT 46 45 47 128 129 CONECT 47 46 48 130 131 CONECT 48 47 49 132 133 CONECT 49 48 134 135 136 CONECT 50 1 CONECT 51 1 CONECT 52 1 CONECT 53 2 CONECT 54 2 CONECT 55 3 CONECT 56 3 CONECT 57 4 CONECT 58 4 CONECT 59 5 CONECT 60 5 CONECT 61 6 CONECT 62 6 CONECT 63 7 CONECT 64 7 CONECT 65 8 CONECT 66 8 CONECT 67 9 CONECT 68 9 CONECT 69 10 CONECT 70 10 CONECT 71 11 CONECT 72 11 CONECT 73 12 CONECT 74 12 CONECT 75 13 CONECT 76 13 CONECT 77 14 CONECT 78 14 CONECT 79 15 CONECT 80 15 CONECT 81 16 CONECT 82 16 CONECT 83 17 CONECT 84 17 CONECT 85 18 CONECT 86 18 CONECT 87 19 CONECT 88 19 CONECT 89 20 CONECT 90 20 CONECT 91 21 CONECT 92 21 CONECT 93 22 CONECT 94 22 CONECT 95 23 CONECT 96 23 CONECT 97 24 CONECT 98 25 CONECT 99 28 CONECT 100 29 CONECT 101 30 CONECT 102 30 CONECT 103 31 CONECT 104 32 CONECT 105 33 CONECT 106 34 CONECT 107 35 CONECT 108 36 CONECT 109 36 CONECT 110 37 CONECT 111 37 CONECT 112 38 CONECT 113 38 CONECT 114 39 CONECT 115 39 CONECT 116 40 CONECT 117 40 CONECT 118 41 CONECT 119 41 CONECT 120 42 CONECT 121 42 CONECT 122 43 CONECT 123 43 CONECT 124 44 CONECT 125 44 CONECT 126 45 CONECT 127 45 CONECT 128 46 CONECT 129 46 CONECT 130 47 CONECT 131 47 CONECT 132 48 CONECT 133 48 CONECT 134 49 CONECT 135 49 CONECT 136 49 MASTER 0 0 0 0 0 0 0 0 136 0 270 0 END 3D PDB for NP0003423 ((2S, 3S, 4R)-2-[(2'R)-2'-hydroxypentacosanoylamino]-1, 3, 4-octadecanetriol)SMILES for NP0003423 ((2S, 3S, 4R)-2-[(2'R)-2'-hydroxypentacosanoylamino]-1, 3, 4-octadecanetriol)[H]OC([H])([H])[C@]([H])(N([H])C(=O)[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] INCHI for NP0003423 ((2S, 3S, 4R)-2-[(2'R)-2'-hydroxypentacosanoylamino]-1, 3, 4-octadecanetriol)InChI=1S/C43H87NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(47)43(49)44-39(38-45)42(48)40(46)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h39-42,45-48H,3-38H2,1-2H3,(H,44,49)/t39-,40+,41+,42-/m0/s1 Structure for NP0003423 ((2S, 3S, 4R)-2-[(2'R)-2'-hydroxypentacosanoylamino]-1, 3, 4-octadecanetriol)3D Structure for NP0003423 ((2S, 3S, 4R)-2-[(2'R)-2'-hydroxypentacosanoylamino]-1, 3, 4-octadecanetriol) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C43H87NO5 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 698.1710 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 697.65842 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]pentacosanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (2R)-2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]pentacosanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C43H87NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-41(47)43(49)44-39(38-45)42(48)40(46)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h39-42,45-48H,3-38H2,1-2H3,(H,44,49)/t39-,40+,41+,42-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | YADUGDLSXPPFIP-YIEWKAQUSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NPAtlas ID | NPA005151 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 8755938 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 10580558 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
|