HMDB0274515 RDKit 3D PGP(a-17:0/20:3(8Z,11Z,14Z)-2OH(5,6)) 140139 0 0 0 0 0 0 0 0999 V2000 8.3489 -0.4541 -2.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7211 0.9775 -2.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5640 1.3923 -0.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1444 1.2477 -0.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1926 2.1042 -1.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8543 1.9054 -0.5843 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8562 1.4042 -1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9693 0.9600 -2.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 -0.4564 -2.8007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7298 -0.9642 -3.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8457 -0.1001 -4.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4413 -0.3677 -4.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4421 -0.6910 -4.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -0.8256 -6.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4848 -1.9719 -7.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -1.5851 -8.5152 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2641 -3.3854 -7.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9205 -3.9857 -5.9749 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -3.9905 -7.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0839 -3.8182 -6.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9728 -4.4972 -4.7715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9797 -4.3912 -3.7669 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9715 -5.4299 -2.9316 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0227 -3.4649 -3.4508 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8406 -3.6617 -2.3539 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1853 -4.0399 -3.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1465 -4.2331 -2.0384 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1738 -5.0592 -0.9631 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1686 -5.7777 -0.7463 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3543 -5.1489 -0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0538 -5.8833 1.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0004 -5.1599 2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5857 -3.7858 2.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5919 -3.0341 3.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1406 -1.6268 3.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4131 -1.6861 4.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1547 -0.4769 4.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6456 0.6331 5.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5045 1.4153 4.9277 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1494 2.5779 5.8689 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7620 2.1282 7.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4445 3.3718 8.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3262 4.1733 7.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6493 4.2522 8.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7681 3.5295 8.9363 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0691 -2.5119 -1.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -2.0073 -0.8488 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4145 -0.7274 0.1519 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.9194 -0.6014 0.1985 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0931 -0.9939 1.7485 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 0.7547 -0.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3713 1.7548 0.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1453 3.1335 0.0852 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1311 3.4300 -1.2409 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4822 4.1847 0.9781 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0226 5.4336 0.6931 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6332 6.6392 1.6548 P 0 0 0 0 0 5 0 0 0 0 0 0 0.1988 7.9060 1.4413 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2223 7.0218 1.1825 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5887 6.2979 3.2936 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6828 -1.1297 -1.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2308 -0.4902 -2.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7737 -0.7995 -3.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8092 1.0969 -2.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1915 1.6687 -2.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9904 2.3812 -0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1819 0.6806 -0.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0930 1.6286 0.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8058 0.2135 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3149 1.9324 -2.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 3.1950 -0.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6665 2.2022 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8615 1.2793 -0.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0257 1.1115 -3.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3903 1.6836 -3.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2849 -1.1624 -2.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5735 -2.0578 -3.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0778 -0.2101 -5.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0529 0.9725 -4.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1586 -0.2784 -2.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4657 -0.8661 -4.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8793 0.0439 -6.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7982 -0.3065 -6.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 -1.8503 -7.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3527 -0.7040 -8.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8366 -3.8748 -7.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8889 -3.7046 -6.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8705 -5.1334 -7.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5405 -3.9355 -8.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0877 -4.1305 -6.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 -2.7251 -5.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9901 -4.3154 -4.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1566 -5.6563 -4.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5232 -4.5850 -1.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0382 -4.9196 -3.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4725 -3.1282 -3.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8712 -4.1966 0.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0879 -5.7939 -0.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 -6.8984 0.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9881 -5.9165 1.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8535 -5.7334 2.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0676 -5.0800 1.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8718 -3.2150 1.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5431 -4.0072 2.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3832 -3.5801 4.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6357 -2.8864 2.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3105 -1.1491 4.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2093 -1.1008 2.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1181 -2.3264 3.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3070 -2.3907 5.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1972 -0.7999 5.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4932 -0.0280 3.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5158 1.3708 5.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4804 0.2903 6.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5779 0.8392 4.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7182 1.8617 3.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3484 3.1608 5.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0657 3.1840 5.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8228 1.5279 7.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5918 1.6200 7.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1578 3.0282 9.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5484 3.5383 7.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7742 4.8734 6.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8674 4.8195 8.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0262 4.7039 7.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3355 5.1003 8.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3012 2.7228 9.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4835 3.0916 8.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2830 4.2412 9.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7916 -2.8267 -0.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5854 -1.6658 -1.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2516 -0.2553 2.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4742 1.7604 0.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1714 1.6168 1.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2445 3.1338 0.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6796 3.7714 -1.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2311 3.9171 2.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5899 4.1787 0.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2193 7.3391 0.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 6.5323 3.7689 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 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 42 44 1 0 44 45 1 0 25 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 56 57 1 0 57 58 2 0 57 59 1 0 57 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 25 94 1 1 26 95 1 0 26 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 1 0 37112 1 0 38113 1 0 38114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 41120 1 0 42121 1 0 43122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 50132 1 0 52133 1 0 52134 1 0 53135 1 6 54136 1 0 55137 1 0 55138 1 0 59139 1 0 60140 1 0 M END