HMDB0279933 RDKit 3D PIP(20:5(5Z,8Z,10E,14Z,17Z)-OH(12)/20:3(8Z,11Z,14Z)) 148148 0 0 0 0 0 0 0 0999 V2000 -6.9944 -1.3891 1.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9843 -1.3221 2.8222 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0443 -2.6119 3.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0571 -3.4334 3.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6917 -3.1234 3.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7758 -3.1145 4.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7558 -3.9167 4.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3482 -4.9285 3.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0682 -4.5604 2.8705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5064 -5.4852 1.9473 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9684 -4.4893 4.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5339 -3.3570 4.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3933 -3.4131 5.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9986 -2.3764 6.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0061 -1.0069 5.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3485 -0.5136 4.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3343 0.3786 4.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7705 0.9540 5.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7047 0.7443 5.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6326 1.3864 4.9555 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5765 1.0666 3.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9492 -0.0394 3.0437 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1044 1.9952 2.6499 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0196 1.8204 1.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3152 3.0766 0.6741 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3127 3.1735 -0.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5801 3.2798 -1.3525 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5217 3.4423 -3.0314 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.9270 4.8679 -3.3871 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5662 2.4226 -3.8411 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0341 3.2257 -3.6481 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0806 3.0247 -5.0220 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6084 4.1336 -5.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1803 5.2991 -5.7132 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9211 3.7522 -7.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2754 3.4255 -7.3557 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0893 2.6430 -7.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7179 2.2421 -8.9377 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0274 1.4308 -6.8657 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6945 0.3361 -7.4107 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3263 -0.9615 -7.6782 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.4204 -1.3547 -9.1342 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1902 -2.3435 -6.8314 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9138 -0.6136 -7.1484 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5147 1.7116 -5.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8993 1.7289 -5.3799 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9837 2.9941 1.2827 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3318 3.8653 2.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4312 4.7204 2.5820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6193 3.8365 2.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 2.8984 2.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1015 3.0689 1.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2916 2.1485 0.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8712 2.2480 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0957 1.7567 -1.7551 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9346 0.2847 -1.7271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7932 -0.2896 -1.7596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4355 0.3067 -1.8253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5948 -0.1663 -0.7168 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5168 -0.8587 -0.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0352 -1.2308 -2.3351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3449 -0.6496 -2.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3558 -1.4496 -2.7215 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2715 -2.8915 -2.9425 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0818 -3.7212 -1.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8525 -5.1686 -2.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6134 -6.1215 -1.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1271 -5.9192 -0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6955 -0.6713 0.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8661 -2.4129 1.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0166 -1.2295 2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0498 -0.9627 2.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3576 -0.5161 3.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0120 -2.9056 3.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1710 -4.3973 4.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5225 -3.9613 2.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6511 -2.2079 2.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9597 -2.4051 5.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0827 -3.8740 5.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9631 -4.9367 2.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3696 -5.9647 3.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0399 -3.5526 2.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4317 -5.2320 1.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1779 -5.3896 4.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2984 -2.4942 3.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5535 -4.4104 6.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 -2.5836 6.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1541 -0.8066 5.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9212 -0.2943 6.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6953 -0.8355 3.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9519 0.6566 3.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2614 0.6255 6.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9186 2.0837 5.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9533 -0.3511 5.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9722 1.0851 6.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7093 1.1593 5.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5157 2.5081 5.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0584 1.7867 0.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4152 0.9379 1.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8928 3.9357 1.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2115 4.1223 -1.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 2.3257 -1.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1606 1.6549 -4.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1467 3.0462 -5.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5854 4.3179 -5.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2818 6.0002 -6.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7469 4.6498 -7.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5531 3.5491 -8.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9307 2.9897 -8.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8525 2.9972 -9.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0478 1.1342 -6.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6006 -2.9523 -6.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4816 -1.4074 -7.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1231 0.8688 -4.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2254 0.7868 -5.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4015 3.5042 4.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0385 4.8722 3.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2655 1.8573 2.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5627 2.9371 3.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3315 2.8326 0.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3865 4.1313 0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0394 1.1014 1.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 2.4648 1.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9121 1.7807 -0.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1319 3.3529 -0.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1486 2.2575 -1.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7970 1.9428 -2.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8665 -0.3544 -1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8018 -1.4100 -1.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4412 1.4256 -1.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0318 0.0692 -2.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 0.0872 0.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0779 -1.1899 -0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6294 -0.8380 -3.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0094 -2.3632 -2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5072 0.4238 -2.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3620 -0.9593 -2.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3269 -3.3402 -3.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8839 -3.0486 -3.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1665 -3.5308 -2.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7715 -3.5354 -0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7693 -5.3591 -2.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1958 -5.3579 -3.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7025 -5.9922 -1.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4204 -7.1866 -1.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9771 -5.4303 0.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2309 -5.2717 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9074 -6.9165 0.4044 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 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 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 2 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 1 0 66 67 1 0 67 68 1 0 45 32 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 12 85 1 0 13 86 1 0 14 87 1 0 15 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 19 95 1 0 20 96 1 0 20 97 1 0 24 98 1 0 24 99 1 0 25100 1 1 26101 1 0 26102 1 0 30103 1 0 32104 1 6 33105 1 0 34106 1 0 35107 1 0 36108 1 0 37109 1 0 38110 1 0 39111 1 1 43112 1 0 44113 1 0 45114 1 0 46115 1 0 50116 1 0 50117 1 0 51118 1 0 51119 1 0 52120 1 0 52121 1 0 53122 1 0 53123 1 0 54124 1 0 54125 1 0 55126 1 0 55127 1 0 56128 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 65141 1 0 66142 1 0 66143 1 0 67144 1 0 67145 1 0 68146 1 0 68147 1 0 68148 1 0 M END