HMDB0116500 RDKit 3D PGP(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) 141140 0 0 0 0 0 0 0 0999 V2000 3.6701 -2.6391 0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2211 -3.1489 0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 -3.5991 -0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5566 -4.8103 -0.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4298 -5.9570 0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0637 -6.4771 0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8154 -6.6191 1.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6203 -6.2736 2.5064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6796 -5.3244 2.8694 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4969 -4.1353 3.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1299 -3.5999 3.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0622 -3.3127 5.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1562 -2.1375 5.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3648 -0.9158 4.7658 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7276 -0.4086 5.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9562 0.7532 5.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8883 1.6940 5.9846 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9831 3.0342 5.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9507 3.1348 3.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2605 2.6009 3.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0906 2.9504 1.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2345 2.4760 0.8881 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8907 1.5042 1.3062 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5694 3.0892 -0.2849 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5795 2.7790 -1.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4104 1.6334 -2.1047 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3022 0.3252 -1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3288 -0.7221 -2.3961 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2464 -2.2056 -1.5939 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.7490 -2.0441 -0.1974 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2601 -3.3072 -2.4204 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8509 -2.8019 -1.5387 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4033 -2.7001 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8089 -3.2328 -0.3530 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7617 -4.5580 -0.7549 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5418 -3.1149 0.9628 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5915 -1.7717 1.3837 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4127 -1.6533 2.8545 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.0630 -2.9499 3.2516 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6674 -0.5178 2.6204 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3724 -1.1293 4.0875 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3368 1.9625 -2.9928 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5629 2.1502 -4.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7589 2.0014 -4.7472 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 2.5033 -5.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 2.6613 -4.9429 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 1.4011 -4.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 1.5873 -4.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4321 0.2961 -3.5338 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8788 0.2956 -3.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1681 1.2590 -2.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 0.8615 -0.8735 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5752 1.6294 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3001 3.0542 -0.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6604 3.8469 0.6901 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4717 5.2968 0.7571 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1242 6.2495 -0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9477 6.3559 -1.5535 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5745 6.6188 -2.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5864 6.7679 -3.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0942 5.5821 -4.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3034 -3.4509 1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7340 -1.7047 1.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9618 -2.4777 -0.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1285 -3.9039 1.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6198 -2.2507 1.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -2.8160 -1.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3478 -4.9740 -1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0963 -6.7640 -0.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7759 -5.7596 1.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2604 -6.7893 -0.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8153 -7.0409 0.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4055 -5.9307 2.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7541 -7.2548 3.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7136 -5.6849 2.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3834 -3.5283 3.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 -2.7576 2.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6658 -4.3954 3.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2082 -4.1697 5.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1877 -2.0399 6.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3456 -1.1408 3.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4369 -0.1919 4.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5359 -1.1187 4.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0241 0.9894 5.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0814 1.9054 7.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1332 1.3408 5.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2861 3.7594 5.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0061 3.4415 5.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0898 4.2294 3.6224 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8782 2.6497 3.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1512 3.0838 3.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2758 1.5003 3.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0594 4.0504 1.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8515 2.4854 1.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 2.5865 -0.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8620 3.7260 -1.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3405 1.5659 -2.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0716 0.1624 -0.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2979 0.2880 -0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3104 -3.2060 -2.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3884 -1.6554 0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8014 -3.2768 0.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3344 -2.5964 -1.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1518 -4.6269 -1.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5985 -3.4251 0.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0715 -3.7590 1.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2199 0.3317 2.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9430 -0.2798 3.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9517 3.4605 -5.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6391 1.7490 -6.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4132 2.8838 -5.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0356 3.5487 -4.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4106 0.6366 -5.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8418 0.9537 -3.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0493 2.4224 -3.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4081 1.8428 -4.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2262 -0.4974 -4.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8278 0.0392 -2.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5079 0.5676 -4.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1956 -0.7398 -2.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2427 1.0826 -1.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 2.2554 -2.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 -0.2099 -0.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 1.2184 0.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8107 3.4032 -1.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1712 3.1201 -0.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1593 3.3737 1.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7541 3.5737 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3671 5.5604 0.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8574 5.5501 1.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9291 7.3071 0.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2491 6.1884 0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3921 5.5121 -2.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5613 7.2395 -1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1499 7.5650 -1.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 5.8323 -1.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6065 7.0857 -3.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2775 7.6246 -3.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4739 5.2720 -5.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1389 5.6897 -4.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1317 4.7384 -3.6027 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 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 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 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 38 41 1 0 26 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 0 25 96 1 0 26 97 1 6 27 98 1 0 27 99 1 0 31100 1 0 33101 1 0 33102 1 0 34103 1 6 35104 1 0 36105 1 0 36106 1 0 40107 1 0 41108 1 0 45109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 50120 1 0 51121 1 0 51122 1 0 52123 1 0 53124 1 0 54125 1 0 54126 1 0 55127 1 0 55128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 60137 1 0 60138 1 0 61139 1 0 61140 1 0 61141 1 0 M END