HMDB0279012 RDKit 3D PIP(18:1(15Z)/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)) 150150 0 0 0 0 0 0 0 0999 V2000 -0.2187 -0.2404 -3.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0347 0.9170 -4.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3526 1.3696 -4.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6675 2.5978 -3.6665 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6895 3.6673 -3.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8655 4.1927 -1.9891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 5.4063 -1.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3718 6.5491 -2.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 6.4780 -3.9578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4962 7.1202 -4.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5568 7.9762 -4.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9532 7.7279 -4.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 6.7461 -5.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9287 5.6074 -5.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6137 4.6408 -6.1673 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0554 4.5281 -6.3354 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6857 5.6460 -6.8695 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7801 4.1531 -5.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2660 2.8427 -4.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7061 2.7184 -3.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4930 3.7907 -2.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1729 3.5248 -1.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6351 2.3282 -0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6747 1.7376 -0.9347 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1414 1.8708 0.8205 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5243 0.7024 1.4205 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5705 -0.3646 1.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2793 -1.5740 1.9422 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2690 -1.9283 3.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6041 -1.0848 4.1399 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8719 -3.2867 3.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0068 -4.3632 2.7268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3461 -4.2526 1.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8916 -4.0996 1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 -2.8874 1.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2788 -2.8991 1.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8086 -1.6330 2.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 -1.4253 1.9076 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6057 -1.3715 0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0638 -1.1583 0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4107 -1.0925 -1.2871 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1194 -2.2601 -2.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8885 -3.5243 -1.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3384 -3.3179 -1.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1491 -3.4494 -0.8293 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7534 -3.8174 0.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -5.1261 0.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9304 1.0558 2.7333 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1956 0.0313 3.2723 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5402 0.4605 4.7807 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.5521 1.5718 4.5905 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7745 0.9855 5.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 -0.8865 5.5008 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2073 -0.5404 6.3464 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0727 -0.8717 7.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -0.1218 8.3045 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1874 -2.3397 8.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4899 -2.6915 8.3862 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2146 -3.1642 6.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4956 -4.4656 7.3192 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4952 -2.6730 6.2003 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6198 -3.3788 5.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9201 -4.4529 5.0407 P 0 0 0 0 0 5 0 0 0 0 0 0 4.1404 -3.8121 5.7036 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3842 -4.8635 3.4639 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5458 -5.8515 5.8959 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5204 -1.1890 5.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4605 -0.6775 6.9201 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1732 0.1159 -2.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3524 -1.1298 -3.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2973 -0.4563 -3.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1549 0.3847 -5.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8463 1.5855 -4.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1796 0.6525 -4.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7391 2.8376 -3.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5758 4.3411 -4.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3317 3.1160 -3.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7353 3.4363 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2364 5.5971 -0.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8203 7.4707 -2.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4701 6.9382 -2.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1674 5.8603 -4.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6731 6.9914 -5.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4827 8.2718 -3.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3912 9.0565 -4.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6354 8.5516 -4.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7308 6.7945 -5.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8791 5.4936 -5.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9984 3.7985 -6.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2676 3.7027 -7.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0135 6.1320 -7.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9190 4.9278 -4.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8337 3.8884 -5.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3597 1.9360 -5.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3670 1.7002 -3.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8658 4.7461 -2.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4058 3.9350 -2.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2659 3.4373 -1.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0305 4.3885 -0.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7016 0.4050 0.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9379 -0.4979 0.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4951 0.1119 1.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9711 -3.2419 4.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7065 -3.5121 4.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6832 -5.3511 3.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1273 -4.4443 2.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6037 -5.2309 0.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9025 -3.5084 0.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4239 -5.0062 1.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5389 -4.1960 0.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 -1.9428 1.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -2.7992 2.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3171 -2.8906 0.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7546 -3.8109 1.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5072 -1.4938 3.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3099 -0.7968 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 -0.4967 2.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8505 -2.2567 2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0381 -0.4898 0.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1795 -2.2512 -0.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -0.1710 0.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6408 -1.9101 0.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5236 -0.9023 -1.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9734 -0.1704 -1.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5343 -2.0219 -3.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0593 -2.4790 -2.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4844 -3.7903 -0.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6627 -4.3453 -2.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7029 -3.0349 -2.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2389 -3.2723 -0.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7194 -4.0340 0.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2054 -3.0769 1.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2176 -5.4147 1.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5838 -5.0262 0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0847 -5.8836 0.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7298 1.3872 3.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 1.9917 2.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5326 1.8630 6.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3195 0.5615 6.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 -0.5171 8.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 0.8200 8.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -2.6866 8.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9592 -3.1577 7.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6067 -3.2766 6.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0101 -5.1506 6.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3216 -3.0346 6.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1858 -4.3923 3.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1215 -6.5499 5.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9079 -0.8736 5.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3466 -0.9280 6.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 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 2 0 29 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 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 26 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 55 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 59 61 1 0 61 62 1 0 62 63 1 0 63 64 2 0 63 65 1 0 63 66 1 0 61 67 1 0 67 68 1 0 67 54 1 0 1 69 1 0 1 70 1 0 1 71 1 0 2 72 1 0 2 73 1 0 3 74 1 0 4 75 1 0 5 76 1 0 5 77 1 0 6 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 13 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 22 98 1 0 22 99 1 0 26100 1 6 27101 1 0 27102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 37116 1 0 38117 1 0 38118 1 0 39119 1 0 39120 1 0 40121 1 0 40122 1 0 41123 1 0 41124 1 0 42125 1 0 42126 1 0 43127 1 0 43128 1 0 44129 1 0 45130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 47135 1 0 48136 1 0 48137 1 0 52138 1 0 54139 1 1 55140 1 0 56141 1 0 57142 1 0 58143 1 0 59144 1 0 60145 1 0 61146 1 1 65147 1 0 66148 1 0 67149 1 0 68150 1 0 M END