HMDB0293031 RDKit 3D CDP-DG(a-17:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)) 156157 0 0 0 0 0 0 0 0999 V2000 -0.0020 4.6543 -1.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4931 4.3129 -2.4775 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3908 3.3640 -3.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0426 2.1532 -3.5371 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4002 1.7226 -3.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0699 1.2652 -4.7460 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3232 0.2095 -5.2839 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3708 0.7715 -4.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9561 -0.2933 -4.8325 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2531 -0.7299 -4.3457 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7982 -1.7945 -4.9019 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2774 -2.5924 -5.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8427 -3.3032 -6.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3089 -4.0962 -7.8351 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9746 -3.5038 -9.0806 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9275 -4.7368 -7.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0813 -3.6888 -7.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3047 -3.0505 -6.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1777 -3.7065 -4.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5081 -2.6593 -3.8974 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3796 -2.0683 -3.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9309 -2.5336 -3.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9498 -2.5088 -2.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7774 -2.9087 -1.3527 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7978 -4.1305 -0.9229 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5983 -2.0143 -0.3791 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4724 -1.6389 0.8724 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0818 -0.1998 0.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1341 -0.0305 0.2914 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2682 0.0771 -0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2302 -0.5500 0.1279 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3453 0.9019 -1.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3513 2.3426 -1.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6294 2.8911 -0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3320 4.2574 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6956 3.8024 1.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2048 4.8385 2.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9915 4.0581 3.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0124 2.9825 3.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9403 2.1310 4.6832 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3168 1.5136 4.9368 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7045 0.6113 3.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0424 -0.0057 3.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5292 -0.8426 4.8992 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6346 -0.1993 6.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9285 -2.2139 5.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0985 -3.1494 3.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -1.2637 1.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3706 -0.1851 0.3654 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9391 0.3556 0.5185 P 0 0 0 0 0 5 0 0 0 0 0 0 2.4704 -0.1198 1.8746 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 -0.4345 -0.6498 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1257 2.0144 0.4207 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6098 2.5727 0.9947 P 0 0 0 0 0 5 0 0 0 0 0 0 3.5236 4.0670 1.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8457 2.2563 -0.1244 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0361 1.8723 2.4571 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0897 2.8377 3.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4906 2.0890 4.7177 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7729 1.5082 4.6066 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9480 0.9839 5.8976 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2131 0.5013 6.2022 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6664 -0.7109 6.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8556 -1.2498 6.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8846 -0.2740 6.9056 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1488 -0.7561 7.2224 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4323 0.9585 6.8348 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2608 1.4637 6.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9177 2.6414 6.4863 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3270 1.9655 6.8737 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2742 1.3814 7.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6573 2.9638 5.9311 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4561 3.3839 6.4679 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 3.7243 -0.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8334 5.0129 -0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 5.4183 -1.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 4.1430 -2.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3655 5.3133 -3.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4343 3.6092 -3.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6997 1.4985 -4.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4904 0.8593 -2.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1448 2.4971 -3.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1235 2.1034 -5.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3671 0.2692 -5.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9197 1.2292 -3.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 -0.7440 -5.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7520 -0.2168 -3.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8007 -2.0445 -4.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5469 -3.0840 -6.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6254 -2.5928 -6.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -4.9050 -8.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6059 -3.8320 -9.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6142 -5.2226 -8.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1687 -5.5494 -6.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0372 -2.9491 -8.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7562 -2.1598 -6.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1418 -4.3828 -4.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3883 -4.3670 -4.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4724 -2.3367 -3.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4801 -1.2732 -2.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3178 -1.6994 -4.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0275 -3.4231 -4.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9053 -3.0749 -3.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3781 -1.4081 -2.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7155 -2.2775 1.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2182 -0.0696 2.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3051 0.5711 0.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5624 0.6686 -2.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3347 0.6782 -2.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2753 2.8768 -2.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4249 2.5860 -0.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3713 3.1157 -1.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0513 2.1822 0.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2946 4.7627 0.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6075 4.7693 -0.6392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4873 3.1767 1.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8540 3.1348 1.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2270 5.2438 1.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9524 5.6306 2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7262 4.8341 4.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0443 3.6923 3.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9965 3.4640 3.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0809 2.3655 2.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5692 2.6857 5.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2488 1.2941 4.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1583 0.9020 5.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0243 2.2855 5.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8959 -0.1879 3.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6498 1.2120 2.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7894 0.8286 3.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1131 -0.5796 2.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6273 -1.0842 4.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8742 0.8502 6.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7562 -0.5377 6.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4991 -0.6973 6.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8505 -2.2028 5.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4525 -2.6731 5.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1283 -3.6155 3.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0699 -2.5657 2.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3806 -3.9962 3.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0648 -0.9541 2.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6788 -2.1428 1.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4158 -1.2368 -0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4703 3.0457 -0.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8451 3.6277 3.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0916 3.2595 3.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7054 1.3160 4.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1814 0.1118 5.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8453 -1.4840 6.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1648 -2.2614 6.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5949 -0.5393 8.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7687 -1.3405 6.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0405 2.4382 7.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6465 1.0329 6.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3178 3.8291 5.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3967 4.3835 6.3190 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 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 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 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 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 44 46 1 0 46 47 1 0 27 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 2 0 64 65 1 0 65 66 1 0 65 67 2 0 67 68 1 0 68 69 2 0 61 70 1 0 70 71 1 0 70 72 1 0 72 73 1 0 72 59 1 0 68 62 1 0 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 79 1 0 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 6 7 84 1 0 8 85 1 0 9 86 1 0 10 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 6 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 20 99 1 0 21100 1 0 22101 1 0 22102 1 0 23103 1 0 23104 1 0 27105 1 1 28106 1 0 28107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 45133 1 0 45134 1 0 45135 1 0 46136 1 0 46137 1 0 47138 1 0 47139 1 0 47140 1 0 48141 1 0 48142 1 0 52143 1 0 56144 1 0 58145 1 0 58146 1 0 59147 1 1 61148 1 6 63149 1 0 64150 1 0 66151 1 0 66152 1 0 70153 1 1 71154 1 0 72155 1 6 73156 1 0 M END