HMDB0275210 RDKit 3D PGP(20:4(5Z,8Z,11Z,14Z)-OH(19S)/i-16:0) 134133 0 0 0 0 0 0 0 0999 V2000 -5.4912 9.7246 0.8794 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6642 8.5386 1.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5582 7.5274 1.9438 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9413 7.9695 0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9093 7.5179 -0.9649 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1704 6.9626 -2.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2994 5.7877 -1.7988 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6247 5.2539 -3.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7414 4.0823 -2.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6186 4.4228 -1.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2507 3.2213 -1.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8422 2.6221 -2.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7171 1.4310 -2.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3055 0.7600 -3.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1767 -0.3776 -3.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 -1.4757 -2.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 -1.4339 -1.9812 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2732 -2.6759 -2.1582 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6756 -3.7167 -1.4283 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4660 -4.2792 -0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8419 -3.3308 0.6664 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6289 -3.7411 1.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9484 -4.9601 1.7531 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0935 -2.8413 2.8344 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3736 -2.2143 2.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -1.3037 3.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8070 -0.0193 3.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8454 0.8466 3.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6732 0.6134 2.7406 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4873 1.7053 1.7349 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4150 2.4312 1.7986 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3081 2.3188 2.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0355 2.0140 2.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2861 0.9679 2.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6206 -0.0564 3.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7515 -1.3542 2.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0158 -2.3622 2.9924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0455 -2.3754 4.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3585 -2.6938 3.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 -3.9953 2.6575 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2134 -5.1923 3.5147 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3761 -6.4237 2.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9146 -5.2744 4.0218 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3174 -4.8863 -2.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4269 -4.4409 -3.3380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9779 -5.6956 -4.3799 P 0 0 0 0 0 5 0 0 0 0 0 0 1.9245 -6.8408 -4.2393 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 -5.1430 -5.9651 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6023 -6.1398 -3.8708 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -4.9629 -3.5472 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6982 -5.2265 -3.0701 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6815 -6.0335 -1.9175 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4346 -3.9262 -2.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8035 -3.2183 -1.7602 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5526 -1.7746 -1.3968 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.2877 -1.8115 -0.0965 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6439 -1.3119 -2.6262 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 -0.5691 -1.3713 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8849 10.2346 1.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9603 10.4504 0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3717 9.3130 0.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8669 8.8446 2.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5267 6.5437 1.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2076 7.3335 2.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5786 7.9310 2.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3179 7.1052 0.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2650 8.7176 -0.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5452 8.3831 -1.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6383 6.7638 -0.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8802 6.6642 -2.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5108 7.7502 -2.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 6.1426 -1.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9301 5.0054 -1.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4171 5.0222 -3.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9616 6.0599 -3.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3069 3.2243 -2.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3293 3.7322 -3.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0494 5.2941 -2.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0837 4.7069 -0.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2939 2.4720 -0.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1268 3.5703 -0.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0308 2.2674 -3.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4444 3.3752 -3.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 1.8144 -1.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 0.7617 -1.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5486 0.5176 -4.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9586 1.5426 -4.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6392 -0.7423 -4.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0783 0.0325 -2.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6959 -3.3613 -1.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3267 -4.9096 -0.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7839 -4.9962 0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3498 -3.5455 3.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3410 -2.1880 3.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0628 -3.1551 2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2706 -1.9414 1.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4200 -1.9716 4.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1901 -1.2869 2.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6483 0.3806 4.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9115 1.8174 4.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7707 0.4254 3.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9421 -0.2967 2.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2380 1.8560 0.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3102 3.2259 1.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 1.8012 3.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1304 3.4108 3.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6937 2.7248 1.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 0.8358 1.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5363 0.2151 3.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1985 -0.0256 4.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5155 -1.4617 1.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1394 -3.3062 2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7978 -3.2224 4.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1086 -1.4895 4.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2101 -2.6376 4.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6216 -1.8977 2.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4708 -4.0974 2.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7614 -4.0051 1.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9634 -5.2889 4.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9862 -6.1949 1.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4426 -6.6977 2.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8171 -7.2755 3.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9594 -5.6039 4.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2309 -5.3325 -2.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7908 -5.6657 -1.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1024 -5.6003 -6.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7472 -4.3466 -2.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4013 -4.3457 -4.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2518 -5.7440 -3.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9234 -5.7113 -1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4214 -3.2845 -3.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4886 -4.1075 -2.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4358 -1.8853 -2.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5814 0.1854 -0.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 2 0 16 18 1 0 18 19 1 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 2 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 19 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 6 71 1 0 7 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 9 77 1 0 10 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 12 83 1 0 13 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 15 89 1 0 19 90 1 1 20 91 1 0 20 92 1 0 24 93 1 0 24 94 1 0 25 95 1 0 25 96 1 0 26 97 1 0 26 98 1 0 27 99 1 0 28100 1 0 29101 1 0 29102 1 0 30103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 37112 1 0 38113 1 0 38114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 1 42120 1 0 42121 1 0 42122 1 0 43123 1 0 44124 1 0 44125 1 0 48126 1 0 50127 1 0 50128 1 0 51129 1 6 52130 1 0 53131 1 0 53132 1 0 57133 1 0 58134 1 0 M END