HMDB0279426 RDKit 3D PIP(22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/18:3(9Z,12Z,15Z)) 146146 0 0 0 0 0 0 0 0999 V2000 3.7339 1.8289 5.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5631 1.9925 6.8093 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9005 3.2570 6.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6563 3.3507 6.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2619 2.2000 5.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 2.4076 6.9219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 1.6391 7.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0277 0.4031 8.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9461 -0.7494 8.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7975 -1.7824 7.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6336 -1.9420 6.5261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1453 -3.1278 6.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4237 -4.1136 6.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0711 -4.3314 4.7078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6487 -3.4313 3.8707 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8173 -3.6940 3.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5382 -4.9258 3.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6818 -5.1432 2.8594 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3482 -4.1239 2.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1314 -3.2719 2.7378 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2302 -4.8507 0.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3631 -5.7180 0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4592 -4.9082 -0.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5885 -3.6725 -0.9345 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4262 -5.4937 -1.4066 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4893 -5.0040 -2.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6442 -3.8730 -2.0097 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3542 -3.8291 -3.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9984 -2.6206 -3.2036 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1077 -2.3335 -4.4334 P 0 0 0 0 0 5 0 0 0 0 0 0 1.4134 -2.2676 -5.7785 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2348 -3.5980 -4.5251 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 -0.8916 -4.0875 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6487 -0.3741 -5.1421 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9435 0.9357 -5.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7592 1.7049 -6.3167 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7934 1.6418 -4.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8245 2.6396 -4.2497 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1242 2.1351 -3.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1076 2.4367 -2.3603 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2590 1.2889 -4.1269 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0620 1.1335 -2.9585 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5845 1.7823 -3.1249 P 0 0 0 0 0 5 0 0 0 0 0 0 7.8640 2.2858 -4.5227 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7022 0.5280 -2.7943 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8938 3.0098 -1.9984 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0346 -0.0821 -4.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9170 -0.3098 -5.6977 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2056 -3.7603 -0.9459 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5327 -2.4789 -0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0086 -1.5590 -0.9894 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4188 -2.5019 0.7452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 -1.2654 1.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1856 -0.1605 1.8381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 0.5973 0.9999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 1.7234 1.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1431 2.6651 1.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2993 2.0618 0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9565 3.1319 -0.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0217 3.1945 -1.7547 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4087 2.1404 -2.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3891 1.5238 -3.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2674 1.5157 -4.7988 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1092 2.1379 -5.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6534 3.2028 -6.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4772 3.2551 -7.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7012 2.2461 -8.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6676 1.6079 -9.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3613 0.9854 6.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2527 2.8034 5.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2447 1.7042 4.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9801 1.0857 6.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0393 2.0327 7.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5096 4.1823 6.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 4.3462 5.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6603 2.1959 4.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1724 1.2249 6.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9839 3.3396 6.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6210 1.9387 8.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0789 0.3240 7.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7664 0.5846 9.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8215 -0.6715 8.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5339 -2.5998 7.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0624 -1.0183 6.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1822 -2.0904 5.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5299 -3.1446 7.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0367 -4.9306 6.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0975 -4.5636 4.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3959 -5.3768 4.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1999 -2.4354 3.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2291 -2.8723 2.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1395 -5.7518 4.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 -6.1073 2.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5744 -3.6207 1.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7507 -2.3460 2.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7408 -4.1139 0.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9835 -5.4296 1.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8368 -6.4446 0.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0584 -6.3179 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9741 -4.8422 -3.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8051 -5.8981 -2.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1297 -2.8556 -2.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2067 -3.9800 -4.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -4.6403 -3.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2908 -3.9855 -5.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5865 -1.0359 -6.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 0.7662 -5.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4258 2.6142 -6.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4585 0.8973 -3.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4721 2.6899 -5.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2448 3.1628 -4.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8022 3.0979 -2.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9385 1.8726 -4.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3910 0.1214 -1.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0941 3.2434 -1.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2918 -0.8638 -3.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4330 -0.1243 -6.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0213 -3.1911 1.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3287 -3.1254 0.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6374 -0.7853 0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8085 -1.5706 2.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9723 0.6239 2.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7405 -0.4049 2.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6726 0.9421 0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7013 0.0210 0.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9651 1.2563 2.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 2.2023 2.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4657 3.1907 0.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5763 3.4973 1.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0201 1.1789 -0.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0279 1.7225 1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4310 3.9499 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5385 4.0366 -2.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9721 1.2931 -1.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5193 2.5824 -3.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2605 1.0523 -3.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0369 1.0381 -5.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3783 2.6399 -4.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6251 1.3181 -6.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2572 4.0096 -5.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9335 4.1046 -8.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9371 2.7490 -9.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2565 1.4480 -7.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4149 2.3397 -9.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2119 0.7486 -8.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1031 1.2524 -10.3233 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 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 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 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 41 47 1 0 47 48 1 0 27 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 65 66 2 0 66 67 1 0 67 68 1 0 47 34 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 14 89 1 0 15 90 1 0 16 91 1 0 17 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 0 26101 1 0 27102 1 6 28103 1 0 28104 1 0 32105 1 0 34106 1 6 35107 1 0 36108 1 0 37109 1 0 38110 1 0 39111 1 0 40112 1 0 41113 1 6 45114 1 0 46115 1 0 47116 1 0 48117 1 0 52118 1 0 52119 1 0 53120 1 0 53121 1 0 54122 1 0 54123 1 0 55124 1 0 55125 1 0 56126 1 0 56127 1 0 57128 1 0 57129 1 0 58130 1 0 58131 1 0 59132 1 0 60133 1 0 61134 1 0 61135 1 0 62136 1 0 63137 1 0 64138 1 0 64139 1 0 65140 1 0 66141 1 0 67142 1 0 67143 1 0 68144 1 0 68145 1 0 68146 1 0 M END