HMDB0272514 RDKit 3D PGP(18:0/20:4(5Z,8Z,11Z,14Z)-OH(16R)) 140139 0 0 0 0 0 0 0 0999 V2000 0.6017 7.4299 2.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2758 8.1210 1.8408 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4954 8.4674 0.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1913 7.4134 -0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5257 6.2739 -0.7458 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2127 5.3005 0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7213 4.2017 -0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4783 3.1258 -0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6781 3.6769 0.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4783 2.6081 1.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9513 1.5417 0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8028 2.0988 -0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2338 0.9883 -1.7097 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0722 0.2514 -2.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5783 -0.8237 -3.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4630 -1.5965 -3.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5194 -0.7489 -4.7295 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 -1.5443 -5.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2012 -1.2855 -6.5934 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -2.5339 -4.7884 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2932 -3.2441 -5.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9422 -4.2914 -4.6701 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1835 -5.2100 -4.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1381 -4.5519 -3.4626 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3030 -5.6937 -3.0141 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6733 -6.7936 -2.1579 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9569 -6.4823 -4.3675 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5854 -5.0058 -2.1702 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4793 -5.1958 -0.7992 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6705 -4.5448 -0.1484 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8206 -5.1504 -0.6405 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5535 -4.6271 1.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6572 -3.9858 1.9466 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5480 -4.0629 3.6254 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.7375 -4.8252 4.1726 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1466 -4.8521 4.1073 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6048 -2.4987 4.3044 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5974 -3.7103 -3.5578 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9343 -3.9998 -3.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5194 -4.7965 -4.0428 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6735 -3.4230 -2.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2330 -4.1222 -0.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8993 -3.6750 0.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3425 -3.8956 0.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2657 -3.0102 0.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9386 -1.5414 0.6884 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6740 -0.8838 -0.4454 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1753 -0.1567 -1.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7940 0.2458 -1.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6960 1.7226 -1.7634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9891 2.6011 -1.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0019 2.3774 -0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3613 3.2426 1.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5121 2.8377 2.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3315 1.4689 2.6668 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0866 0.5116 2.1093 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8591 1.0249 2.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 -0.4278 3.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4297 -0.9698 3.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5141 -2.4098 3.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0185 6.4906 2.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4708 8.0725 3.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0141 7.2254 3.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5862 9.1198 2.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1743 7.5399 1.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2768 9.2461 0.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2118 9.0480 -0.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8812 7.8984 -0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9822 6.9488 0.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2114 6.6735 -1.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3243 5.7062 -1.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0926 5.7229 0.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4925 4.8070 0.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 3.8207 -1.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3871 4.7071 -1.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7606 2.6384 0.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7864 2.3685 -0.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3114 4.3483 1.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2827 4.3056 -0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7896 2.1148 1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2970 3.0987 1.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5570 0.8250 0.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0599 0.9827 -0.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3444 2.9522 -1.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7533 2.4535 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7456 0.2263 -1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9916 1.2901 -2.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5084 -0.3007 -1.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3935 0.9068 -2.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1681 -0.3040 -4.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2904 -1.5022 -2.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9405 -2.3440 -4.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -2.1986 -3.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0017 -0.0797 -3.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0274 -0.0682 -5.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2169 -3.6920 -6.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0508 -2.4937 -5.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5892 -4.9341 -5.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6653 -5.7253 -5.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -6.0062 -3.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9334 -6.3308 -4.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5396 -6.2862 -0.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5198 -4.8050 -0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7366 -3.4633 -0.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3086 -4.5742 -1.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6408 -4.0852 1.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4873 -5.6874 1.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5290 -4.2211 4.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6997 -2.2277 4.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5210 -2.3231 -2.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7504 -3.5906 -2.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3991 -5.2030 -0.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1329 -3.9108 -0.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4887 -4.4216 1.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5276 -2.7229 0.7748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6866 -4.9494 0.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3566 -3.2785 0.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8710 -1.3936 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2966 -1.2197 1.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7881 -1.0603 -0.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8978 0.2405 -2.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1419 -0.1550 -0.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4045 -0.1862 -2.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4109 2.1189 -2.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1256 3.6906 -1.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0961 1.2902 0.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0026 2.5743 -0.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5319 4.3418 0.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7989 3.5767 3.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5626 1.4078 3.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2867 -0.2756 2.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 1.5998 3.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3629 1.2048 1.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3273 -0.5442 4.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4306 -1.0732 2.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1406 -0.3373 3.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0238 -0.8957 2.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 -2.9735 2.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5371 -2.7629 3.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0073 -2.4620 4.5068 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 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 33 34 1 0 34 35 2 0 34 36 1 0 34 37 1 0 22 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 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 2 0 54 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 6 73 1 0 7 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 9 79 1 0 10 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 12 85 1 0 13 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 0 21 97 1 0 22 98 1 6 23 99 1 0 23100 1 0 27101 1 0 29102 1 0 29103 1 0 30104 1 1 31105 1 0 32106 1 0 32107 1 0 36108 1 0 37109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 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 1 56131 1 0 57132 1 0 57133 1 0 58134 1 0 58135 1 0 59136 1 0 59137 1 0 60138 1 0 60139 1 0 60140 1 0 M END