HMDB0279834 RDKit 3D PIP(20:3(5Z,8Z,11Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 150150 0 0 0 0 0 0 0 0999 V2000 -7.6619 -2.0379 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9582 -2.7716 1.8113 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5041 -3.0621 1.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2095 -4.2854 1.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4988 -5.6415 1.5593 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7812 -6.2756 2.7782 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4395 -5.4951 3.8794 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -5.7802 2.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3963 -5.2760 3.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 -4.6953 3.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3962 -3.2065 3.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2393 -2.4427 3.5067 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5655 -1.1162 3.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9706 -0.8087 3.8053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3459 0.4081 4.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2893 1.3705 4.7286 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2285 2.2204 3.6472 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5791 2.0101 6.0031 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8108 2.7419 5.7491 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6379 2.9555 6.6352 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 2.3144 6.8567 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3807 2.2849 5.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4623 1.7439 4.8187 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 2.4640 4.7667 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6755 0.6195 4.0858 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6768 0.1526 3.3252 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0052 0.5428 1.8442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8402 1.9659 2.0961 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2522 2.6891 1.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9356 2.2295 -0.0231 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 4.1474 1.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1397 4.8927 0.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2979 4.4611 0.7727 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6367 3.0775 0.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5123 2.6663 -0.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1616 3.6081 -1.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5213 3.6630 -1.6668 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8390 3.6252 -2.9002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7639 3.4631 -3.9811 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6033 4.4960 -4.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4237 5.1746 -5.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2561 4.7997 -4.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8204 4.0071 -4.9719 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6509 4.4384 -6.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4867 3.1708 -6.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3323 2.8033 -5.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9964 1.5196 -5.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8888 1.0607 -4.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0421 2.0183 -4.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0688 -1.2293 3.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1105 -2.0108 2.4627 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7918 -3.5110 2.0260 P 0 0 0 0 0 5 0 0 0 0 0 0 3.3682 -4.5748 2.9649 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4638 -3.4300 2.0144 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2853 -4.0127 0.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0192 -3.5541 0.1280 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0320 -2.4516 -0.8983 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3179 -1.9495 -0.9923 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5706 -2.8251 -2.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1849 -2.5889 -2.3685 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 -4.2874 -2.5596 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2371 -4.5254 -2.6321 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1835 -5.1775 -1.5512 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7652 -6.4081 -1.5206 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7324 -7.6708 -1.9983 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.4936 -7.7070 -1.1321 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5922 -9.1619 -1.8162 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3128 -7.4463 -3.6323 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0386 -4.6054 -0.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0877 -5.5983 0.8451 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8846 -1.6813 -0.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0636 -1.1227 1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4631 -2.5916 0.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4725 -3.6656 2.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7607 -2.0666 2.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9423 -2.2095 0.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1159 -4.3361 0.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3991 -6.3293 0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6492 -5.7787 1.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0236 -7.2966 2.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0813 -4.5600 3.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5671 -4.8762 1.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1099 -6.3445 4.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -4.9278 3.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3884 -3.1082 3.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7513 -2.7862 3.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -0.4923 3.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8044 -1.3816 3.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3883 0.6367 4.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3662 0.6996 4.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2761 1.5221 2.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9487 1.2583 6.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6026 3.1816 4.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0619 3.2698 7.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4542 3.8536 5.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2592 3.0205 7.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7261 1.3777 7.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6202 2.7501 4.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8783 3.5090 5.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5509 0.8388 3.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6485 0.3403 1.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0572 0.0716 1.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7473 4.1741 2.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1061 4.5617 1.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2517 5.9776 0.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 4.6795 -0.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3816 4.6244 1.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9067 5.2770 0.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1656 2.3356 1.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6169 1.5639 -0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3053 4.5557 -0.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4193 4.2581 -1.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3106 3.7146 -0.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8703 3.6753 -3.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0886 2.5359 -4.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8325 3.1712 -3.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4977 4.8345 -5.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4263 5.8794 -6.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4502 4.6399 -3.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2294 5.9271 -4.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6619 4.1440 -4.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6602 2.9330 -4.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9707 4.5485 -7.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 5.2906 -6.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2555 3.3861 -7.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8334 2.3483 -6.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5955 2.5368 -4.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0709 3.5660 -4.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2423 0.6562 -5.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5039 1.5154 -6.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2890 1.2009 -3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1550 0.0186 -4.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7723 1.5613 -3.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7347 2.9817 -3.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4369 2.1714 -5.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3238 -1.7107 4.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9132 -1.2308 2.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8338 -2.5576 1.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6556 -3.0536 1.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3647 -1.5948 -0.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4106 -1.0732 -1.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1049 -2.2027 -2.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0024 -1.6770 -2.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -4.4783 -3.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6748 -3.6151 -2.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1387 -5.3221 -1.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 -8.9813 -1.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9927 -6.7298 -4.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0178 -4.1333 -0.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -5.9397 1.0969 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 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 26 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 59 61 1 0 61 62 1 0 61 63 1 0 63 64 1 0 64 65 1 0 65 66 2 0 65 67 1 0 65 68 1 0 63 69 1 0 69 70 1 0 69 56 1 0 1 71 1 0 1 72 1 0 1 73 1 0 2 74 1 0 2 75 1 0 3 76 1 0 4 77 1 0 5 78 1 0 5 79 1 0 6 80 1 1 7 81 1 0 8 82 1 0 9 83 1 0 10 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 1 17 91 1 0 18 92 1 1 19 93 1 0 20 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 1 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 35110 1 0 36111 1 0 36112 1 0 37113 1 0 38114 1 0 39115 1 0 39116 1 0 40117 1 0 41118 1 0 42119 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 48131 1 0 48132 1 0 49133 1 0 49134 1 0 49135 1 0 50136 1 0 50137 1 0 54138 1 0 56139 1 1 57140 1 0 58141 1 0 59142 1 0 60143 1 0 61144 1 0 62145 1 0 63146 1 6 67147 1 0 68148 1 0 69149 1 0 70150 1 0 M END