HMDB0009938 RDKit 3D PIP(16:0/22:5(7Z,10Z,13Z,16Z,19Z)) 147147 0 0 0 0 0 0 0 0999 V2000 -8.8357 3.7947 -5.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1349 2.4349 -5.8983 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3814 2.1484 -4.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0778 1.9831 -4.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2138 2.0885 -5.8047 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1879 3.1480 -5.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9074 2.9545 -5.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3634 1.5915 -5.8313 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4998 1.7011 -7.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2296 1.4404 -7.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 0.9759 -5.8683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5469 1.9529 -5.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7949 1.6090 -5.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 0.2270 -5.6951 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9284 -0.2229 -4.4298 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 -1.2232 -3.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -2.1041 -3.9983 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8477 -3.5250 -4.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7562 -4.4492 -4.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7264 -4.9344 -3.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1736 -4.1561 -2.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3806 -3.4724 -1.5824 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5681 -3.5938 -1.1826 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4294 -2.6059 -0.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1574 -1.9589 0.3041 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5235 -2.5169 1.5564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8389 -2.2329 1.7004 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9393 -2.5416 0.9787 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8025 -3.2385 -0.0465 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3238 -2.0513 1.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1472 -1.4839 2.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7868 -2.5417 3.7823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4719 -1.9929 5.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1992 -3.0548 6.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1368 -4.0293 5.8643 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7525 -3.5762 5.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1071 -2.8424 6.8015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3474 -2.5449 6.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0968 -1.8026 7.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5345 -1.5772 7.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -0.7866 5.8402 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2192 -0.6402 5.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3723 0.1529 4.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8192 0.3349 3.8647 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0834 -0.4708 0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4449 0.1549 -0.8688 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0526 1.7972 -0.9028 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.9714 2.0244 0.1849 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7946 2.0384 -2.3717 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3921 2.7197 -0.7857 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0382 2.8300 0.4049 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5213 2.7441 0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1138 3.6771 -0.5299 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 2.8866 1.6993 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4974 2.8942 1.6362 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6570 4.1812 2.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3158 4.3135 3.5753 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1428 3.9767 2.5374 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5760 4.7871 3.4853 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2305 3.9905 4.9409 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.2399 3.8005 5.1687 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 2.5135 5.0197 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8301 4.9776 6.1746 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6034 4.1308 1.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2409 4.2037 1.0444 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1528 4.6018 -5.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7713 3.8407 -6.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0702 3.8736 -4.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6552 2.5121 -6.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0135 1.7226 -6.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9358 2.0580 -3.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6091 1.7627 -3.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8603 2.5364 -6.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8955 1.1463 -6.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5542 4.1586 -5.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2047 3.7862 -5.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1223 0.8322 -6.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8896 1.2911 -4.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0339 2.0407 -7.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2773 1.5591 -8.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -0.0491 -6.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1623 0.9638 -4.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2697 3.0112 -5.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5627 2.3935 -5.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1765 0.3688 -6.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6142 -0.4979 -6.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8156 0.3527 -4.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1313 -1.4880 -2.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7201 -1.9739 -3.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9388 -1.7237 -4.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7010 -3.6011 -4.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3486 -3.9079 -3.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2617 -5.3806 -5.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2475 -4.0303 -5.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2382 -5.7693 -2.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0545 -5.6338 -4.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9837 -4.8582 -2.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7261 -3.3789 -3.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2244 -2.1570 0.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0404 -2.0771 2.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2661 -3.6096 1.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9998 -2.9070 1.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5749 -1.2551 0.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1337 -1.0198 3.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4004 -0.6721 2.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9430 -3.1319 3.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6550 -3.2462 3.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6406 -1.2804 5.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3814 -1.4140 5.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9863 -2.6104 7.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1535 -3.6152 6.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1018 -4.7221 6.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4395 -4.7742 5.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0894 -4.4746 5.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6968 -2.8795 4.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0659 -3.4960 7.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6189 -1.8822 7.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3973 -1.9874 5.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 -3.5267 6.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6314 -0.8027 7.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0432 -2.4006 8.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0545 -2.5702 6.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0688 -1.0598 7.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2416 -1.2606 4.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3429 0.2481 5.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7233 -0.1727 6.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6130 -1.6811 5.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7316 -0.2410 3.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9942 1.1914 4.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2130 1.3373 4.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9852 0.2658 2.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4210 -0.4452 4.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3981 -0.0166 1.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1722 -0.2765 0.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 2.9822 -2.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6659 2.0446 1.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7726 1.6922 0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3414 4.1340 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8389 2.0255 2.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8107 3.8203 1.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8769 4.9945 1.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0051 5.0314 3.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0603 2.9197 2.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5475 1.7776 5.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2494 4.3992 6.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1379 5.0014 0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1292 4.5732 1.8834 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 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 1 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 25 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 56 58 1 0 58 59 1 0 59 60 1 0 60 61 2 0 60 62 1 0 60 63 1 0 58 64 1 0 64 65 1 0 64 51 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 1 26100 1 0 26101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 44132 1 0 45133 1 0 45134 1 0 49135 1 0 51136 1 1 52137 1 0 53138 1 0 54139 1 0 55140 1 0 56141 1 0 57142 1 0 58143 1 1 62144 1 0 63145 1 0 64146 1 0 65147 1 0 M END