HMDB0272305 RDKit 3D PGP(20:4(5Z,8Z,11Z,14Z)-OH(17)/16:0) 134133 0 0 0 0 0 0 0 0999 V2000 1.5616 -6.3117 -1.9624 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1059 -6.7083 -2.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6325 -6.3548 -0.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5717 -4.8832 -0.4947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2675 -4.5426 0.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7038 -4.9477 0.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4006 -4.5587 2.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8231 -4.9899 1.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6797 -4.7166 3.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6970 -3.1824 3.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6045 -2.9544 4.4936 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8942 -1.5857 4.9266 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9189 -0.6541 5.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7681 -0.3072 4.6121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9147 0.7971 5.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7733 1.0506 4.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5433 0.2820 3.3335 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9351 2.1278 4.4873 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8492 2.4370 3.6782 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4546 2.4512 4.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4863 2.8465 3.5018 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7882 2.8763 3.9872 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9412 2.5424 5.1763 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8685 3.2975 3.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2372 3.0345 3.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5923 1.6656 3.8954 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8578 0.5750 3.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0351 0.5098 1.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0057 1.7137 0.9097 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3219 1.7930 0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3638 1.8808 -1.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 1.9261 -1.9336 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1123 3.1305 -2.7853 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0473 3.0962 -4.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9400 1.9796 -5.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9383 0.6067 -4.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9557 -0.2568 -4.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 0.1107 -5.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4871 -0.1017 -4.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4247 -1.4390 -4.1899 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4148 0.7657 -3.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3442 2.2329 -3.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1207 2.5976 -4.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0598 3.6414 2.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1376 3.4067 1.9191 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4243 4.6401 0.8348 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.8253 5.1855 0.9638 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3407 5.9191 0.9872 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 3.9420 -0.7214 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1726 4.6538 -1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1057 4.0384 -2.9651 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5145 2.6870 -2.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1163 4.6992 -3.8418 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8356 6.0311 -4.0728 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0131 6.7271 -5.0901 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.0104 7.5223 -4.2959 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8389 5.5147 -5.9691 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1717 7.6877 -6.2104 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0498 -6.6708 -1.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0976 -6.8083 -2.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6694 -5.2160 -2.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0288 -7.7937 -2.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3718 -6.1786 -2.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -6.9758 0.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 -6.6617 -0.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4821 -4.5014 -0.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0827 -4.2895 -1.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2118 -3.4592 1.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -5.0916 1.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2509 -4.5462 -0.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7536 -6.0762 0.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2796 -3.4699 2.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9107 -5.1113 2.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3068 -4.4921 1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8152 -6.1069 1.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6947 -5.0733 2.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2574 -5.2207 3.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9990 -2.6438 2.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6580 -2.9590 3.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2775 -3.6237 5.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6149 -3.4166 4.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4339 -1.1010 4.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8144 -1.6717 5.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4901 0.3177 5.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5822 -0.9435 6.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0309 -1.1610 4.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0709 0.0137 3.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5793 0.5131 6.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5334 1.6971 5.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7945 1.5752 2.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6945 1.4813 4.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3951 3.2190 5.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6558 2.8454 2.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 4.3955 2.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9512 3.7466 3.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1191 3.5216 4.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 1.7335 4.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7728 1.2788 4.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9383 -0.4705 3.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2228 -0.4712 1.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7619 2.6551 1.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2298 1.4568 0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2537 1.7753 0.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3087 1.9279 -1.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9528 1.0112 -2.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1946 2.1603 -1.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1993 4.0897 -2.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0805 4.1471 -4.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1540 2.2326 -5.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8874 2.0849 -5.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8913 0.1939 -4.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1040 -1.3086 -4.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6531 1.0589 -5.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5474 -0.6683 -6.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6034 0.0814 -5.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9919 -1.6557 -3.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4532 0.4921 -2.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1948 0.4921 -2.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2682 2.6815 -4.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2641 2.7031 -2.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3706 3.1307 -3.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5758 1.7158 -4.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 3.2409 -5.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 4.5700 3.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1701 3.8015 2.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 6.0718 1.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2344 4.5844 -1.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 5.7177 -1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0834 4.0893 -3.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1516 2.1654 -3.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0949 4.6857 -3.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2979 4.1212 -4.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1935 4.9641 -6.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3433 7.2138 -6.4948 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 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 39 41 1 0 41 42 1 0 42 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 2 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 6 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 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 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