HMDB0013546 RDKit 3D PGP(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 139138 0 0 0 0 0 0 0 0999 V2000 2.2127 -5.5232 -4.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0887 -5.5345 -3.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 -4.8478 -2.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1896 -3.7678 -1.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0428 -3.0875 -1.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0899 -3.0508 -0.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6419 -1.9831 -0.5095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4683 -0.5763 -0.8123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5834 -0.1482 -1.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4932 0.5912 -1.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9343 1.0828 -0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 0.5340 0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2911 1.2438 0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 2.6521 0.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8392 3.5391 1.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0630 3.2933 2.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8996 1.9566 3.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0896 1.2614 3.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2304 0.9231 4.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3504 1.1352 5.9635 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7671 -0.1320 6.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8176 -0.7568 5.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2007 -1.3289 4.5317 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4686 -0.6791 5.7963 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3888 -1.1343 5.0367 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4699 0.0631 4.7692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6677 -0.2002 4.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 0.8502 3.7678 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1687 1.9955 4.1771 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8137 0.7665 3.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9155 1.4563 1.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6208 2.9167 1.8072 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7598 3.6262 0.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8766 3.0561 -0.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9927 3.8070 -1.8968 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0917 3.1257 -2.9432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 3.8269 -4.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0949 4.3301 -4.7903 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2632 4.2753 -4.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1075 3.5065 -5.2545 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5380 3.3636 -4.7959 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2344 2.5453 -5.8903 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6852 2.3226 -5.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3121 1.4964 -6.6305 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7796 1.2310 -6.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4265 0.4053 -7.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4414 -2.2031 5.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4617 -2.5308 4.8541 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4765 -3.7070 5.4979 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.4878 -3.5557 6.9997 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8916 -5.2559 5.1295 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0316 -3.4756 4.8667 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1704 -4.1025 3.6147 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5787 -3.8288 3.1435 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7735 -2.4487 3.0425 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8245 -4.5022 1.8001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9055 -3.9491 0.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1097 -4.6251 -0.6485 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.0068 -3.5468 -1.7149 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6876 -5.2675 -0.7082 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9563 -5.8297 -0.8520 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0744 -6.3511 -4.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2069 -5.6136 -3.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1979 -4.5795 -4.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -6.6487 -2.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2327 -5.1188 -3.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5631 -5.2846 -1.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6781 -3.3483 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2908 -2.1347 -2.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3978 -3.6661 -2.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4011 -4.0728 -0.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4383 -2.2015 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5309 -0.1939 -1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3354 -0.0667 0.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8265 -0.3946 -2.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 0.8503 -2.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2256 0.8149 0.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 2.1972 -0.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2621 -0.5789 0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1976 0.6166 0.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5152 3.1193 -0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1787 2.8187 -0.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9987 4.6276 0.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3970 4.1308 3.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1579 1.2959 2.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2938 2.1872 4.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8720 1.0340 2.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1915 0.3864 5.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4944 1.8020 5.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9287 1.6848 6.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2160 0.1220 7.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5377 -0.8700 6.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6829 -1.6130 4.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7668 0.5475 5.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1475 0.8336 4.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 -0.3042 2.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5863 1.2619 3.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3540 0.9636 0.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0003 1.3658 1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3178 3.4376 2.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5829 3.0854 2.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 4.6877 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8340 3.6714 0.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2485 2.0065 -0.7484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8363 2.9585 -0.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7247 4.8729 -1.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0420 3.7699 -2.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5461 2.0925 -3.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1129 3.0343 -2.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1122 3.9297 -4.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2092 4.8513 -5.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6635 5.3398 -4.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3999 3.9825 -3.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6983 2.5006 -5.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0481 4.0796 -6.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9747 4.3620 -4.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5692 2.7756 -3.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7498 1.5512 -5.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1349 3.0601 -6.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1761 3.3396 -5.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7677 1.8616 -4.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 2.0386 -7.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7789 0.5337 -6.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3023 2.2136 -6.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8789 0.7529 -5.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7524 0.3366 -8.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4060 0.8050 -7.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -0.6343 -7.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8324 -1.8761 6.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2349 -3.0877 5.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9987 -5.1936 4.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0299 -5.1823 3.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4706 -3.6448 2.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2926 -4.1830 3.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6655 -2.2338 2.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8769 -4.2962 1.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7144 -5.5822 1.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9111 -5.5614 -1.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9724 -6.1378 -1.8098 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 2 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 2 0 28 30 1 0 30 31 1 0 31 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 2 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 45 46 1 0 25 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 57 58 1 0 58 59 2 0 58 60 1 0 58 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 19 88 1 0 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 25 93 1 6 26 94 1 0 26 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 51131 1 0 53132 1 0 53133 1 0 54134 1 1 55135 1 0 56136 1 0 56137 1 0 60138 1 0 61139 1 0 M END