HMDB0261890 RDKit 3D PE(20:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)) 139138 0 0 0 0 0 0 0 0999 V2000 -14.9808 -4.8755 0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5661 -4.4877 -0.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5716 -3.3694 -0.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0267 -2.0883 0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8799 -1.5341 -0.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4526 -0.2097 -0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2934 0.3649 -0.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8513 1.6925 -0.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3944 1.7316 1.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1680 0.8600 1.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0577 1.3217 0.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7444 0.5581 0.7497 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3093 0.8021 2.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1151 0.1781 2.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7856 0.3706 2.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5680 -0.3450 0.7716 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3916 -0.0518 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0071 -0.1209 0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5856 0.8659 1.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1124 0.7357 1.7818 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -0.0022 2.6979 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2011 1.4327 1.0613 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1856 1.4609 1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7059 2.3849 0.1172 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2657 1.8852 -1.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 0.6655 -1.5673 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3517 0.1009 -3.0717 P 0 0 0 0 0 5 0 0 0 0 0 0 2.4751 -0.4409 -3.9155 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3065 -1.2220 -2.7754 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5067 1.2221 -3.9639 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6107 0.7467 -4.6158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2745 1.8969 -5.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2966 2.4032 -6.3387 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1082 2.5660 0.1733 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6523 3.8192 0.3351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8182 4.7949 0.4241 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0654 4.1895 0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8839 3.0785 0.9947 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 2.7954 2.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0840 1.7270 3.1035 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3939 2.0970 3.2993 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0845 0.5122 2.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2564 0.0855 1.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2826 -1.0689 0.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4006 -1.5322 0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7231 -0.9234 0.6453 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3621 -0.4648 -0.6066 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5204 -0.9357 -0.9913 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2646 -1.9152 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4418 -2.3020 -0.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2882 -3.3106 -0.0932 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7514 -3.6506 1.1536 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6895 -2.8129 0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6820 -1.5444 0.8989 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0500 -0.9941 1.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7517 -0.6482 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1309 -0.0978 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7208 -4.8093 1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0809 -4.2466 0.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5973 -5.9191 0.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0860 -5.3886 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7458 -4.2624 -1.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3527 -3.7187 0.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0842 -3.2468 -1.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6024 -2.3351 1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7839 -1.3154 0.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1876 -1.3239 -1.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0025 -2.2132 -0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1123 -0.4776 0.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2697 0.5326 -0.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6405 0.4868 -1.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4177 -0.3208 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6822 2.4421 -0.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0649 2.0676 -1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1540 1.4392 1.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0802 2.7719 1.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0139 0.9844 2.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3999 -0.2184 1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8348 2.3979 0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3137 1.1126 -0.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0405 1.0691 0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8472 -0.4808 0.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1535 0.6377 2.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1647 1.9426 2.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9594 0.5036 3.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2522 -0.9531 2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4948 1.4369 2.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0568 -0.1092 2.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4863 -1.4816 1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4679 -0.3428 0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4787 -0.7762 -0.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4889 0.9434 -0.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6905 -1.1742 0.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3355 0.0735 -0.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7440 1.8852 1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1405 0.7876 2.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4358 1.9386 2.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6650 0.4766 1.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2319 3.3694 0.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1689 1.7312 -1.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4763 2.6654 -1.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4289 -1.5734 -1.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3217 0.1933 -4.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2435 0.0445 -5.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5539 2.6415 -4.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1443 1.5018 -5.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1453 3.2591 -5.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 1.6883 -6.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2252 5.0893 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3908 4.4393 -0.6354 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7289 2.1794 0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9660 3.2852 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3925 3.7695 2.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2579 2.5676 2.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5455 1.5148 4.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8346 2.5425 2.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2011 -0.0056 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1462 0.6197 1.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3527 -1.5940 0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3659 -2.4183 -0.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7130 -0.0895 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3893 -1.6927 1.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8533 0.2956 -1.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9332 -0.5489 -1.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0167 -2.3916 0.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7921 -1.8795 -1.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3420 -4.2423 -0.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3988 -4.2028 1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3291 -3.5958 0.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0996 -2.5790 -0.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0915 -0.8027 0.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1977 -1.7719 1.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6269 -1.7707 1.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9709 -0.1074 1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1789 0.1161 -0.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8387 -1.5525 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3509 -0.2266 1.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8830 -0.6527 -0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1961 0.9714 -0.1141 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 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 24 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 6 70 1 0 7 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 9 76 1 0 10 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 0 23 98 1 0 24 99 1 1 25100 1 0 25101 1 0 29102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 1 41116 1 0 42117 1 0 43118 1 0 44119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 48124 1 0 49125 1 0 50126 1 0 51127 1 6 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 57139 1 0 M END