HMDB0286164 RDKit 3D PC(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/17:0) 136135 0 0 0 0 0 0 0 0999 V2000 0.2527 -4.6419 10.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9458 -4.5522 9.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5531 -5.7262 8.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2484 -5.6324 7.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9337 -4.3900 6.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7237 -4.4923 4.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5288 -3.3293 4.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9481 -1.9975 4.7015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6704 -0.9647 3.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0284 0.4279 4.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7349 1.4063 2.9493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5207 1.1039 1.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1705 2.1077 0.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8972 1.9079 -0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6038 0.5498 -1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3338 0.3657 -2.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0605 -0.9671 -3.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4305 -1.9896 -2.5347 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4031 -1.1498 -4.3446 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1386 -2.4276 -4.8936 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8184 -2.6903 -6.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4959 -1.7787 -7.2275 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0337 -1.8799 -8.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8485 -2.8484 -8.6627 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7947 -1.0174 -9.6311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9067 0.1505 -9.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4861 -0.2101 -8.9835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2532 1.0526 -8.8899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8272 1.5510 -7.8241 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7908 0.8549 -6.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1697 0.5585 -6.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 1.0476 -4.9553 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9099 1.9606 -4.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 1.4082 -2.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2925 2.0592 -1.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9853 3.3701 -1.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 4.3769 -0.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8066 5.0236 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1869 4.8303 0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6974 5.5358 1.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1088 5.3438 1.7801 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1973 5.2792 3.1533 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9870 6.4290 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4106 6.2020 1.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6794 -2.7863 -4.9205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1432 -2.7777 -3.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5073 -3.1812 -3.6781 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6896 -4.6797 -3.6128 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1342 -2.6530 -5.1817 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.3733 -2.3676 -2.4947 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2366 -2.9708 -1.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0276 -2.2135 -0.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9188 -2.7961 1.1053 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.6104 -3.3695 1.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1681 -1.8251 2.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8879 -3.8771 1.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6403 -5.2872 10.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9528 -5.1132 11.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0388 -3.5967 10.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0373 -4.5980 9.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6921 -3.5777 8.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5502 -5.8011 8.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -6.6473 8.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9512 -6.5513 6.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3523 -5.7400 7.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1455 -4.3067 6.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2916 -3.5118 6.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3571 -5.3967 4.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7804 -4.6507 5.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4938 -3.2135 3.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1589 -3.4612 3.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3179 -1.7676 5.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9932 -1.9889 5.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3126 -1.2813 2.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5846 -1.0486 3.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5214 0.7442 4.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1436 0.4552 4.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0574 2.4113 3.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 1.5047 2.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5932 1.1179 1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 0.1072 1.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 2.1051 0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4024 3.1139 1.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4705 2.6660 -1.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9762 2.1151 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 0.4095 -1.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.2808 -0.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0763 1.1925 -3.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4202 0.4901 -2.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5944 -3.1552 -4.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5443 -3.7045 -6.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9242 -2.6914 -6.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7982 -0.6170 -9.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4434 -1.6163 -10.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 0.6493 -10.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 0.9005 -8.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4813 -0.8719 -8.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0703 -0.7466 -9.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3315 1.6416 -9.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3482 2.5007 -7.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3804 -0.1979 -6.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0847 1.2598 -5.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7955 -0.1157 -6.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7079 0.7742 -4.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8438 1.9782 -4.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2744 2.9976 -4.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3112 0.4606 -2.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2025 1.6367 -0.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9861 3.7320 -2.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0213 3.2821 -1.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1918 4.5863 -1.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2131 5.7507 0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8766 4.1560 -0.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0559 6.2324 1.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4499 4.3348 1.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4648 6.1328 3.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9227 6.4062 0.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6029 7.4029 1.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9289 5.6594 0.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4084 5.5421 2.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9468 7.1393 1.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0957 -2.2551 -5.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 -3.8760 -5.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6031 -4.0169 -1.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1615 -3.0258 -1.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0863 -2.2174 -0.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7226 -1.1592 -0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5998 -3.7370 2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7869 -2.6541 1.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5099 -4.2444 0.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9094 -1.0733 1.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5843 -2.3483 3.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2274 -1.3377 2.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5335 -4.8083 0.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8652 -4.0861 2.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8959 -3.5854 1.0145 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 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 2 0 17 19 1 0 19 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 2 0 29 30 1 0 30 31 1 0 31 32 2 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 2 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 20 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 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 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 9 75 1 0 10 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 20 90 1 1 21 91 1 0 21 92 1 0 25 93 1 0 25 94 1 0 26 95 1 0 26 96 1 0 27 97 1 0 27 98 1 0 28 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 1 0 38112 1 0 39113 1 0 40114 1 0 41115 1 6 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 54128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 56136 1 0 M CHG 2 49 -1 53 1 M END