HMDB0279211 RDKit 3D PIP(18:2(9Z,12Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 146146 0 0 0 0 0 0 0 0999 V2000 5.4161 -6.1454 -3.6916 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3119 -5.5408 -4.5512 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4550 -5.9688 -5.9453 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6105 -6.6405 -6.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3075 -7.0905 -6.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1442 -6.5140 -6.9793 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1937 -5.1203 -6.9083 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1387 -6.9853 -6.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9103 -6.1556 -5.7446 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1929 -6.5572 -5.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9175 -5.6391 -4.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1882 -5.9890 -3.8797 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9304 -5.1196 -3.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5514 -3.7512 -3.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2148 -2.8451 -2.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5035 -3.2015 -1.7255 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.3846 -4.3263 -0.9572 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1221 -2.0247 -1.0783 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2133 -1.0313 -2.1276 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5550 -1.3753 0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3268 -1.9404 1.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4019 -3.0455 1.6959 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0017 -2.8292 1.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5444 -3.1228 0.2153 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1306 -2.2584 2.2608 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7705 -2.0156 1.9542 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7922 -2.7891 2.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5373 -2.4958 2.4277 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1452 -2.6246 1.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4147 -3.0518 0.2502 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5643 -2.3028 0.9409 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8195 -0.7687 1.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2470 -0.4920 0.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7742 0.8698 0.7445 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7245 1.7568 1.9254 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3863 2.1956 2.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4443 3.0814 3.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0507 2.3622 4.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1443 2.8044 5.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9099 3.9981 5.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0160 5.0494 6.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4563 5.1348 7.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5482 4.2329 7.8451 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 4.9621 8.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2596 4.0595 8.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8682 2.8319 8.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8782 1.9824 8.9228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4526 -0.5456 1.8918 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2404 0.0389 0.8992 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9797 1.6975 0.7260 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.2624 2.1931 1.9558 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5028 2.4158 0.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0362 1.9265 -0.6099 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3871 2.9469 -1.4544 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3682 3.9873 -1.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5258 3.6926 -2.7201 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0985 5.2603 -2.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 6.0764 -2.8529 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3164 4.9203 -2.9731 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5017 4.9885 -2.2387 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1912 3.6138 -3.7052 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2586 3.7009 -4.7276 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9525 3.4881 -6.2456 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.7174 2.1854 -6.3538 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9293 4.8264 -6.5724 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7074 3.4072 -7.4031 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9399 2.4360 -2.7939 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1463 1.7862 -2.4634 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4008 -5.6712 -3.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1562 -5.9197 -2.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4603 -7.2446 -3.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4567 -4.4307 -4.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3728 -5.8472 -4.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4133 -5.6907 -6.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8695 -6.8911 -7.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 -8.2084 -6.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1766 -6.8674 -5.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1996 -6.8183 -8.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8456 -4.8255 -6.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4281 -8.0076 -6.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5704 -5.1389 -5.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 -7.5543 -5.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4925 -4.6548 -4.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5299 -7.0278 -3.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8533 -5.4901 -2.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6011 -3.4221 -3.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8139 -1.8344 -2.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1912 -3.4818 -2.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2366 -4.4010 -0.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1971 -2.2636 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4305 -0.1459 -1.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5708 -0.8896 -0.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1838 -0.3967 0.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1162 -1.0647 2.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3676 -2.2535 1.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4379 -3.1146 2.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8224 -4.0259 1.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6565 -2.3748 0.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9706 -3.8924 2.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -2.5109 3.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8212 -2.5366 -0.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2460 -2.8463 1.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6427 -0.5537 2.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0699 -0.2605 0.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4334 -0.9324 -0.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9246 -1.1093 1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8827 0.7791 0.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3969 1.4373 -0.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3055 1.2747 2.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3626 2.6925 1.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 1.5009 2.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0153 2.9336 1.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9384 4.0116 3.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3728 3.3000 3.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6076 1.4102 5.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5564 2.1386 6.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6592 4.4726 4.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9901 3.6537 4.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6987 5.9291 5.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7081 6.0775 7.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0355 3.9920 8.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2683 3.2940 7.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7936 5.3754 7.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4738 5.8088 8.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3261 4.6164 9.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7534 3.7276 9.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3999 3.0927 7.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7314 2.1399 7.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8484 0.9896 8.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1553 2.4100 8.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1877 1.9261 9.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6959 -0.0087 2.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3818 -0.4265 1.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8506 2.5430 1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2742 3.4367 -0.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1345 4.2604 -0.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 4.4203 -2.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 5.8285 -1.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2496 6.6483 -2.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3927 5.7159 -3.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7012 5.9278 -2.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1841 3.4234 -4.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 5.5878 -6.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7422 4.1994 -8.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2935 1.6644 -3.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9097 2.4004 -2.5131 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 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 18 20 1 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 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 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 6 7 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 15 87 1 0 16 88 1 6 17 89 1 0 18 90 1 1 19 91 1 0 20 92 1 0 20 93 1 0 21 94 1 0 21 95 1 0 22 96 1 0 22 97 1 0 26 98 1 6 27 99 1 0 27100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 36112 1 0 37113 1 0 37114 1 0 38115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 52134 1 0 54135 1 1 55136 1 0 56137 1 0 57138 1 0 58139 1 0 59140 1 0 60141 1 0 61142 1 6 65143 1 0 66144 1 0 67145 1 0 68146 1 0 M END