HMDB0279250 RDKit 3D PIP(20:4(5Z,8Z,11Z,14Z)-OH(20)/18:3(6Z,9Z,12Z)) 144144 0 0 0 0 0 0 0 0999 V2000 2.7633 5.5326 0.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1130 4.8173 2.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9240 3.3397 1.7428 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 2.6907 2.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0391 1.1786 2.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1626 1.0558 1.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0098 0.5093 1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6766 -0.0831 2.7512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1102 -1.4649 2.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8101 -2.4992 3.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9225 -2.5364 4.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1099 -3.5584 4.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3804 -3.3823 4.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0488 -2.1136 4.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0225 -1.7071 3.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1318 -2.7244 3.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1947 -2.4183 2.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9046 -2.2916 0.8316 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5936 -2.9617 -0.0112 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9306 -1.4873 0.3117 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7392 -1.3989 -1.1334 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0668 -0.0044 -1.4634 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1069 0.3827 -2.8003 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4733 1.7366 -2.9991 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6893 2.4611 -1.9666 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6359 2.3813 -4.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3168 1.5531 -5.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 1.1818 -5.5501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0832 2.4458 -5.6866 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1429 2.8691 -4.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7047 2.0666 -3.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7199 1.7887 -3.8803 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6656 2.1333 -3.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3367 2.8784 -1.8101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 4.1416 -1.8533 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0148 4.4659 -0.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3060 3.5630 0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0388 4.2294 1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9161 4.4024 2.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2903 3.9454 2.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2446 5.1290 2.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0729 5.8566 3.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3466 4.9462 4.9146 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1360 5.7987 6.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3777 4.9911 7.2993 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4286 -1.9424 -1.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3067 -1.3637 -1.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1195 -2.0835 -1.5408 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.1755 -2.1303 -0.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6976 -1.2093 -2.8677 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0771 -3.6745 -2.0733 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3009 -3.7368 -3.4458 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4387 -4.7093 -3.6499 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3469 -5.1812 -4.9645 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1739 -5.8251 -2.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2153 -6.7226 -2.7187 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1303 -6.5046 -2.8076 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0236 -7.5949 -3.6607 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2963 -5.6449 -3.1818 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0173 -5.2275 -2.0561 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6108 -5.7850 -2.1121 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.5982 -7.2516 -1.7493 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5649 -4.8800 -1.0501 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2239 -5.6595 -3.6971 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9298 -4.4454 -4.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7322 -4.7272 -5.3461 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5453 4.8624 0.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1711 6.4815 1.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9532 5.7548 0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7985 4.8288 2.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 5.2937 2.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9116 2.8960 1.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 3.3056 0.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3321 3.1867 3.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9446 2.7696 3.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7081 0.8036 3.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0470 0.7566 2.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5137 1.4466 0.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 0.4589 0.6432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1647 0.1017 3.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6424 0.5182 2.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8058 -1.6250 1.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2512 -3.5100 2.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5227 -1.5531 4.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5485 -2.8769 5.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2819 -4.5884 4.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0208 -4.2787 4.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7287 -2.1773 5.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4241 -1.2405 4.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5345 -1.5843 2.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4774 -0.7494 3.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6219 -2.7300 4.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6883 -3.7394 3.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0629 -3.1569 2.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7097 -1.4689 2.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5423 -2.0647 -1.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0805 0.2307 -1.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3904 0.7012 -0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0400 3.3389 -4.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7032 2.7644 -4.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5914 2.1475 -6.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9334 0.6351 -5.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7469 0.5984 -6.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5778 0.5544 -4.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3682 3.0794 -6.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6818 3.8223 -5.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0116 2.6520 -2.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2206 1.0611 -3.6533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9965 1.2412 -4.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7384 1.8938 -3.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2792 3.2273 -1.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5535 2.2182 -0.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9581 4.8636 -2.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5908 5.4143 -1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7959 2.6022 0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4029 3.3210 0.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0161 4.6052 1.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5686 4.9270 3.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5392 3.4286 1.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5462 3.2050 3.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9630 5.8363 1.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2530 4.7556 2.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0642 6.2738 3.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8187 6.6761 3.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3872 4.5672 4.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6776 4.0924 4.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8507 6.6345 6.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1145 6.2188 6.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2757 4.0600 7.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4484 -3.0620 -1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3595 -1.8648 -2.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6862 -1.1839 -2.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3932 -2.7842 -3.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4344 -4.2839 -3.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2718 -6.1587 -5.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2504 -5.3168 -1.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9203 -7.5925 -2.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3954 -6.9415 -1.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2308 -8.4050 -3.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9876 -6.2560 -3.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1265 -4.0081 -0.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1011 -4.7006 -3.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 -3.7151 -3.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5167 -5.2012 -5.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 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 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 21 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 60 61 1 0 61 62 2 0 61 63 1 0 61 64 1 0 59 65 1 0 65 66 1 0 65 52 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 3 73 1 0 4 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 11 85 1 0 12 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 15 91 1 0 16 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 21 96 1 6 22 97 1 0 22 98 1 0 26 99 1 0 26100 1 0 27101 1 0 27102 1 0 28103 1 0 28104 1 0 29105 1 0 30106 1 0 31107 1 0 31108 1 0 32109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 36114 1 0 37115 1 0 37116 1 0 38117 1 0 39118 1 0 40119 1 0 40120 1 0 41121 1 0 41122 1 0 42123 1 0 42124 1 0 43125 1 0 43126 1 0 44127 1 0 44128 1 0 45129 1 0 46130 1 0 46131 1 0 50132 1 0 52133 1 6 53134 1 0 54135 1 0 55136 1 0 56137 1 0 57138 1 0 58139 1 0 59140 1 6 63141 1 0 64142 1 0 65143 1 0 66144 1 0 M END