HMDB0278897 RDKit 3D PIP(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/18:1(11Z)) 146146 0 0 0 0 0 0 0 0999 V2000 -5.5008 -3.1719 -8.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2339 -2.3466 -8.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6891 -2.7475 -6.7766 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4990 -2.0060 -5.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8805 -0.5484 -5.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8882 -0.2254 -4.7738 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6881 0.6787 -3.8439 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4508 1.4581 -3.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7216 2.9239 -3.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4406 3.7437 -2.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8366 3.3104 -1.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7066 3.6900 -0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3067 4.4837 0.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9715 5.0416 0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5931 5.8369 1.5263 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 6.4751 1.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4758 6.4526 0.5134 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5233 5.8432 2.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8627 6.5088 2.9337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6984 5.9594 4.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0796 4.5475 3.9259 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1908 4.2493 3.3627 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 3.4745 4.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8009 2.1354 4.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7574 1.1754 4.8449 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2717 -0.2358 4.8541 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3194 -1.0609 5.4437 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8774 -2.6693 5.4767 P 0 0 0 0 0 5 0 0 0 0 0 0 2.0854 -2.9940 6.9596 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3703 -2.7883 4.7404 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7543 -3.7582 4.8943 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1685 -3.2130 4.0274 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0990 -3.8194 2.6432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -5.1563 2.6645 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3688 -3.5920 1.8674 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 -4.2040 0.6195 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5941 -4.0909 2.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2143 -5.1586 1.8803 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3595 -4.4359 4.0124 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7906 -5.6751 4.1806 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8545 -6.6419 5.0691 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.2216 -6.6445 4.4301 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2974 -8.2230 5.0995 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9593 -6.1004 6.6754 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5554 -3.3083 4.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2852 -2.1241 4.3729 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5709 1.2365 4.1124 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6516 1.6633 4.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7086 2.0639 5.7529 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8583 1.6877 3.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7089 0.9290 2.4326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6519 1.4544 1.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5968 0.5880 0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 1.1490 -0.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6643 0.3693 -1.8878 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7891 1.0126 -2.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0474 0.3170 -3.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4116 -1.1422 -3.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6845 -1.7440 -5.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8230 -2.2884 -5.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 -2.4024 -4.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1805 -1.7285 -5.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0731 -0.2800 -5.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8601 0.5699 -4.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9811 0.4480 -3.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6115 1.3707 -1.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7974 -3.7179 -7.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3572 -2.5256 -8.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3696 -3.9015 -9.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4776 -1.3311 -8.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5172 -2.6865 -8.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4034 -3.8264 -6.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0835 -2.4326 -4.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3480 -0.3002 -6.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9595 0.0418 -5.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8695 -0.7332 -4.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4716 0.8835 -3.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7507 1.2977 -4.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8360 1.1319 -2.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1749 3.3471 -4.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6512 4.8160 -2.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8581 2.1758 -1.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7929 3.6156 -1.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6984 3.2896 -0.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9859 4.7429 1.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2364 4.8747 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3219 6.0446 2.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4623 7.5382 1.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0201 7.2602 0.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5982 4.7558 2.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0071 5.9942 3.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6566 7.5966 3.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 6.4751 1.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2473 6.1285 5.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6554 6.5533 4.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7148 2.0500 4.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9924 1.8616 3.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5076 1.4959 5.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 -0.5801 3.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2740 -0.3219 5.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 -2.9968 3.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0727 -2.1349 3.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7158 -3.2923 2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0657 -5.6783 1.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4121 -2.4874 1.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0872 -4.3808 0.1935 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3514 -3.2565 2.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9647 -4.8269 1.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3716 -4.3806 4.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5196 -8.3573 4.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3431 -5.3319 6.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4711 -3.3907 5.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2239 -2.3406 4.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 2.7225 3.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6485 1.1334 4.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6741 0.8571 1.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3739 -0.1121 2.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8884 2.4677 1.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3516 1.4080 1.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5844 0.5560 -0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3171 -0.4430 0.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2422 2.1824 -0.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4272 1.1755 -0.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2406 0.4212 -2.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 -0.6905 -1.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7548 0.9754 -2.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6118 2.1036 -2.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 0.8632 -4.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 0.3804 -4.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1925 -1.1727 -2.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5093 -1.6772 -3.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8842 -1.7257 -5.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9192 -2.7081 -6.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8597 -2.1729 -3.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2655 -3.5108 -4.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3325 -2.2263 -6.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0771 -2.0312 -4.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0466 0.0562 -5.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3124 -0.1033 -6.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7814 1.6374 -4.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9345 0.3171 -3.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9701 -0.5862 -2.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9536 0.7719 -3.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.2786 -1.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2545 1.2274 -1.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7609 2.4051 -2.3545 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 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 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 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 41 44 1 0 39 45 1 0 45 46 1 0 25 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 50 51 1 0 51 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 1 0 63 64 1 0 64 65 1 0 65 66 1 0 45 32 1 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 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 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 24 96 1 0 24 97 1 0 25 98 1 1 26 99 1 0 26100 1 0 30101 1 0 32102 1 6 33103 1 0 34104 1 0 35105 1 0 36106 1 0 37107 1 0 38108 1 0 39109 1 1 43110 1 0 44111 1 0 45112 1 0 46113 1 0 50114 1 0 50115 1 0 51116 1 0 51117 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 62137 1 0 63138 1 0 63139 1 0 64140 1 0 64141 1 0 65142 1 0 65143 1 0 66144 1 0 66145 1 0 66146 1 0 M END