HMDB0278996 RDKit 3D PIP(18:1(15Z)/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)) 146146 0 0 0 0 0 0 0 0999 V2000 -2.1668 0.8114 1.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1631 1.4474 2.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1243 0.4178 2.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3455 0.0126 3.6938 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6726 0.5164 4.8804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9971 -0.6409 5.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3637 -0.0933 6.8761 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2354 0.8448 6.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0347 0.1982 6.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0936 1.2818 6.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4256 0.7747 5.7306 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6842 -0.0211 4.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1666 -0.4005 4.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6968 -1.2066 3.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6198 -0.5849 2.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3482 -1.5238 1.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4057 -1.0999 -0.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0478 -1.0396 -0.9304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 -0.0988 -1.6807 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1546 -2.0236 -0.6907 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8778 -2.2099 -1.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8139 -1.2345 -0.7521 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5060 -1.8748 -1.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -3.1460 -0.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8527 -4.0444 -0.9008 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.2474 -3.9228 -2.3525 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1373 -3.4874 0.0368 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4792 -5.6513 -0.5901 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7605 -6.0342 0.7118 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7410 -7.1822 0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7654 -6.8792 -0.2829 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0849 -8.4706 0.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8109 -9.0787 -0.7457 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6647 -8.3131 -0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -9.5923 -0.3786 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -7.5963 0.8013 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2881 -7.0194 0.2022 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7182 -7.7029 0.7948 P 0 0 0 0 0 5 0 0 0 0 0 0 3.8022 -6.6678 0.9599 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2814 -8.9146 -0.2577 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4401 -8.4673 2.2863 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5858 -6.5046 1.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1087 -7.1204 2.6653 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0389 0.0299 -1.2339 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1453 1.1701 -0.4237 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0242 0.8993 0.8222 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 2.5406 -0.8744 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7783 2.7312 -2.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9633 4.2417 -2.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6975 4.9358 -2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1491 5.6354 -3.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7091 5.8142 -4.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0438 5.3170 -5.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 4.6555 -6.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9956 4.1496 -5.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3071 4.7155 -5.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0775 5.3839 -4.6725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8402 5.7103 -3.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7456 6.4113 -2.6022 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6036 6.7849 -1.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3691 6.3920 -0.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5715 6.8835 0.8503 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2317 7.2211 -0.9717 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0995 7.2128 -0.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9456 6.3982 0.9009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6376 7.2735 2.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5851 1.6140 0.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5194 0.1409 1.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6875 0.2630 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6479 1.9357 2.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7301 2.2468 1.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6936 -0.0356 1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1171 -0.7890 3.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4345 0.9361 5.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9056 1.2844 4.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3107 -1.1767 4.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8096 -1.3272 5.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1934 0.4455 7.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1131 -0.9369 7.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9481 1.2068 7.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5146 1.7361 6.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1048 -0.2459 5.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3979 -0.5202 6.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7299 2.0795 5.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1349 1.7547 7.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 0.1269 6.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2057 1.6043 5.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4229 0.5123 3.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0681 -0.9389 4.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7063 0.5791 4.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -0.9571 5.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1224 -2.1798 3.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7514 -1.5500 3.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5646 -0.5032 1.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0586 0.4130 2.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3936 -1.5997 1.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8597 -2.5331 1.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8389 -0.0649 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0637 -1.8098 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8775 -2.3607 -2.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5814 -3.2683 -0.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7604 -1.2670 0.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4555 -2.0318 -2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3874 -1.3743 -0.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9858 -3.9105 -0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2146 -5.1942 1.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1795 -7.2791 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4878 -6.3441 0.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0311 -9.1483 1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1042 -8.3370 -1.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6176 -7.8305 -1.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4255 -10.1933 0.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5505 -8.3647 1.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2531 -8.8682 -0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0184 -8.0881 2.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0778 -5.7094 1.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5016 -7.8359 2.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3828 3.0753 -0.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0734 3.1093 -0.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6584 2.1774 -2.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9174 2.4091 -2.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 4.6372 -1.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5612 4.4090 -3.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2015 4.8624 -1.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7891 6.1341 -3.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8541 6.9551 -4.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8025 5.4956 -4.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5922 5.5714 -6.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3091 4.3964 -7.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8055 4.3283 -4.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0732 3.0280 -5.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6355 4.5344 -6.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0460 5.7585 -5.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9513 5.3823 -2.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6456 6.7112 -3.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4973 6.3679 -0.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7366 7.9117 -1.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1610 5.3359 -0.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0487 7.7270 0.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3648 7.8074 -1.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2856 7.8235 -0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6852 5.6305 1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0303 5.8258 0.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2658 7.8538 1.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4889 7.9255 2.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3387 6.6049 2.9499 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 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 38 41 1 0 36 42 1 0 42 43 1 0 22 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 1 0 61 63 1 0 63 64 2 0 64 65 1 0 65 66 1 0 42 29 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 6 77 1 0 7 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 9 83 1 0 10 84 1 0 10 85 1 0 11 86 1 0 11 87 1 0 12 88 1 0 12 89 1 0 13 90 1 0 13 91 1 0 14 92 1 0 14 93 1 0 15 94 1 0 15 95 1 0 16 96 1 0 16 97 1 0 17 98 1 0 17 99 1 0 21100 1 0 21101 1 0 22102 1 1 23103 1 0 23104 1 0 27105 1 0 29106 1 1 30107 1 0 31108 1 0 32109 1 0 33110 1 0 34111 1 0 35112 1 0 36113 1 1 40114 1 0 41115 1 0 42116 1 0 43117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 54129 1 0 55130 1 0 55131 1 0 56132 1 0 57133 1 0 58134 1 0 59135 1 0 60136 1 0 60137 1 0 61138 1 0 62139 1 0 63140 1 0 64141 1 0 65142 1 0 65143 1 0 66144 1 0 66145 1 0 66146 1 0 M END