HMDB0261879 RDKit 3D PE(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/20:0) 136135 0 0 0 0 0 0 0 0999 V2000 -0.0762 0.1526 4.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4346 0.2194 4.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0951 -0.8060 5.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5784 -0.7717 5.3515 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2090 0.5400 5.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8574 0.9235 7.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5327 2.1901 7.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2568 3.4097 6.7691 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8354 3.8432 6.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7814 5.1769 5.9087 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3884 5.6485 5.7367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4346 4.8482 4.9452 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6045 4.6578 3.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7703 3.9768 2.9239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5713 3.9884 1.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7180 3.3250 0.6803 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4932 3.4200 -0.8015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5671 2.8308 -1.6349 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7895 1.3535 -1.4699 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5854 0.5644 -1.8606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8377 0.1314 -0.9658 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2769 0.3018 -3.1648 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2126 -0.4142 -3.6921 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6248 -1.4921 -4.6396 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4297 -2.1024 -5.1684 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5577 -3.1467 -6.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7354 -3.4977 -6.3629 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5379 -3.8665 -6.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0386 -5.0797 -6.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6366 -4.7789 -4.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7839 -3.8726 -4.7709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9871 -4.1905 -4.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4457 -5.4834 -3.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1673 -5.3662 -2.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9258 -5.9194 -1.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7989 -6.8363 -1.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0946 -6.2880 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 -5.9769 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8602 -6.0793 -0.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1203 -4.9854 -1.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -3.7201 -1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2152 -3.1721 -0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2327 -1.8336 -0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2106 -1.1991 0.6974 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4208 -1.9470 1.8581 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7742 0.2152 1.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 0.9138 1.9644 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2991 0.5327 -4.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9898 1.1338 -5.4815 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0463 2.1805 -6.3323 P 0 0 0 0 0 5 0 0 0 0 0 0 0.7271 2.9916 -7.3466 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1866 1.2759 -7.2202 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8261 3.1574 -5.2132 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2015 2.9805 -5.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7667 3.9256 -4.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2073 3.7424 -4.1175 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5259 1.1684 4.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 -0.5411 3.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3488 -0.0741 5.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 1.2062 4.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6684 0.0413 3.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6885 -0.6291 6.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7284 -1.7995 5.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0164 -1.5844 5.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8894 -0.9981 4.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9348 1.3482 5.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3109 0.4266 5.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2888 0.1293 7.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7583 1.0070 7.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3007 2.4099 8.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6517 2.0436 7.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7155 3.3724 5.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8329 4.2480 7.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 3.1387 6.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3736 4.0380 7.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2537 5.9493 6.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4246 5.2086 5.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4046 6.7313 5.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9822 5.7736 6.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 5.3532 5.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2537 3.8688 5.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3199 4.0708 3.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4118 5.6613 2.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7077 4.4836 3.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8365 2.9069 3.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6096 3.4697 1.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4845 5.0642 1.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8301 2.2800 1.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6609 3.8568 0.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 3.0170 -1.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4386 4.5169 -1.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5201 3.3821 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4326 3.0926 -2.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1393 1.1509 -0.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6609 1.1037 -2.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5463 -0.8519 -2.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2089 -1.0525 -5.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2218 -2.2992 -4.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1883 -4.1608 -7.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3519 -3.1129 -6.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8598 -5.5363 -6.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2859 -5.8592 -5.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8613 -4.1940 -4.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8049 -5.7088 -4.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6407 -2.8366 -5.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7948 -3.4128 -4.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2029 -5.8991 -4.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6619 -6.2680 -3.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0717 -4.6917 -2.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6163 -5.7098 -0.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2736 -7.8080 -0.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1798 -7.0459 -2.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7662 -6.1500 0.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5096 -5.6223 1.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0419 -6.8494 -0.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 -6.6922 -1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7007 -5.2557 -2.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4496 -2.9954 -1.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9541 -3.6750 0.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5382 -1.2228 -0.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1709 -1.1116 0.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1765 -2.5583 1.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7517 0.1136 1.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6057 0.7574 0.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1427 1.4928 2.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3864 1.6346 1.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3711 0.1472 2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1999 1.2526 -3.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5218 -0.1102 -4.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0314 1.1774 -6.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4209 1.9423 -4.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 3.1707 -6.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5035 4.9661 -4.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3098 3.6660 -3.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6023 3.6142 -5.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6217 4.6052 -3.6963 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 23 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 9 75 1 0 10 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 23 96 1 1 24 97 1 0 24 98 1 0 28 99 1 0 28100 1 0 29101 1 0 29102 1 0 30103 1 0 30104 1 0 31105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 35110 1 0 36111 1 0 36112 1 0 37113 1 0 38114 1 0 39115 1 0 39116 1 0 40117 1 0 41118 1 0 42119 1 0 43120 1 0 44121 1 6 45122 1 0 46123 1 0 46124 1 0 47125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 52130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 56135 1 0 56136 1 0 M END