HMDB0115371 RDKit 3D PA(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 129128 0 0 0 0 0 0 0 0999 V2000 2.6547 2.6135 2.8635 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5471 1.4122 2.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4169 1.1349 1.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8465 2.3033 0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 1.9673 -1.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 3.1247 -2.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 3.8196 -2.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9972 3.5400 -3.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9026 3.3049 -4.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2134 4.0653 -5.4786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4416 5.2580 -4.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0399 6.4512 -5.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6152 7.4475 -4.9829 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7156 7.4735 -3.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1831 8.6720 -2.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1841 8.7563 -2.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6606 7.5616 -1.6272 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 7.9619 -1.9617 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0328 8.0184 -1.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8328 7.6740 0.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8992 6.6924 0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0464 5.5141 -0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1404 4.8423 0.1352 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 5.0824 -1.0329 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2770 4.0098 -1.8744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3075 2.6185 -1.4416 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5083 2.1412 -0.6679 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7253 2.4046 -1.2843 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9270 1.7875 -0.2527 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.1241 0.3136 -0.5822 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3803 2.5872 -0.5365 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4414 1.8911 1.3667 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1675 2.1985 -0.6689 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4905 1.0382 -1.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9221 0.3867 -2.0195 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2995 0.4885 -0.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0441 -0.9506 -0.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1734 -1.5266 -0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1506 -2.5565 0.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1077 -3.2790 1.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2124 -3.1614 2.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2745 -4.1237 3.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2682 -5.5540 3.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -6.2658 3.6236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2981 -6.9366 3.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5350 -7.2390 1.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7476 -6.7815 0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 -7.4821 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 -8.8978 -0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2758 -9.6380 -0.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4929 -9.2326 -0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8521 -7.8179 0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7606 -7.3732 -1.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0476 -8.1863 -1.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9605 -7.7855 -2.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3800 -6.3383 -2.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2712 2.4472 3.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2636 3.5424 2.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8033 2.5913 2.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5941 1.6131 2.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1460 0.5309 3.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0119 0.2340 0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3276 0.9117 0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2108 3.1789 0.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9225 2.4971 0.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7447 1.5328 -1.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4588 1.1582 -1.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1807 3.4563 -1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8760 4.6851 -3.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3155 4.2937 -2.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6804 2.5792 -2.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4441 2.4453 -5.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2011 3.8133 -6.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2765 5.3328 -3.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6075 5.1585 -5.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 6.5469 -6.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0395 8.2972 -5.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8441 7.4726 -3.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2895 6.5966 -3.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7001 9.6359 -3.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 9.6988 -1.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3868 6.6352 -2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5088 7.4740 -0.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 8.2098 -2.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0499 8.3323 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0586 8.6378 0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8492 7.3454 0.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8803 7.2380 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6216 6.3521 1.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1605 4.1321 -2.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3762 4.0906 -2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3242 1.9120 -2.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4770 2.3443 0.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4612 0.9822 -0.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1175 2.1707 -0.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0218 1.0162 1.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4754 0.5605 0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5608 1.0843 -0.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2019 -0.8239 -1.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -1.5745 -0.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1668 -1.0786 -0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0732 -2.9399 1.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9484 -2.8633 0.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -4.3385 0.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2315 -2.0852 2.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3385 -3.8713 4.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0457 -5.7232 2.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6491 -5.9659 3.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -6.1640 4.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0761 -7.3907 3.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 -6.8821 1.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7268 -8.3574 1.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7437 -5.6761 0.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5444 -6.9098 -1.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4507 -9.3229 -1.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6648 -9.3546 0.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1818 -10.7684 -0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3225 -10.0052 -0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6234 -7.8248 0.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1478 -7.1059 0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2687 -7.4181 -2.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0434 -6.3214 -0.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8664 -9.2590 -1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 -7.8926 -0.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3985 -7.9185 -3.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8382 -8.4656 -2.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4279 -6.2146 -2.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 -5.9218 -1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7373 -5.7013 -2.8325 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 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 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 29 32 1 0 26 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 0 25 91 1 0 26 92 1 6 27 93 1 0 27 94 1 0 31 95 1 0 32 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 48114 1 0 49115 1 0 49116 1 0 50117 1 0 51118 1 0 52119 1 0 52120 1 0 53121 1 0 53122 1 0 54123 1 0 54124 1 0 55125 1 0 55126 1 0 56127 1 0 56128 1 0 56129 1 0 M END