HMDB0031130 RDKit 3D 9-Octadecenoic acid 1-[[(1-oxohexadecyl)oxy]methyl]-2-(phosphonoxy)ethyl ester 117116 0 0 0 0 0 0 0 0999 V2000 -14.3421 0.5237 -0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0233 1.1304 -1.2847 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2372 0.1519 -2.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8792 -1.1156 -1.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1184 -1.1274 -0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7701 -0.5294 -0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6513 0.9394 -0.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2599 1.4834 -0.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6695 1.4359 1.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2466 1.0317 2.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4885 1.0403 3.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4847 -0.3716 4.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8272 -1.2876 3.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3944 -0.8632 2.9145 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6791 -1.7659 1.9231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2536 -1.2798 1.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1692 0.1240 1.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 0.5484 1.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5063 1.6760 0.7445 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 -0.2737 1.5750 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6536 0.0949 1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0867 0.3982 0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9803 -0.8238 -0.7856 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4076 -0.5148 -2.0848 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2929 -1.8385 -3.1154 P 0 0 0 0 0 5 0 0 0 0 0 0 2.2125 -1.6369 -4.3126 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2948 -2.0336 -3.6741 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7872 -3.2237 -2.3067 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4554 0.8009 0.1431 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8215 1.9973 -0.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9403 2.6890 -1.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2326 2.4504 -0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 3.6170 -1.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8762 4.1076 -1.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9302 3.0848 -1.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9323 2.4396 -2.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0672 1.4475 -2.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9962 0.3337 -1.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1751 -0.5969 -2.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1610 -1.7232 -1.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1553 -1.2821 0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3482 -0.4502 0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6465 -1.1615 0.5729 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7277 -2.4142 1.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0798 -3.0787 1.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1883 -2.1450 1.5274 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6417 -0.3369 -1.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1680 1.2785 -0.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2973 0.2188 0.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4727 1.5882 -0.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2869 1.9873 -1.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0354 -0.1741 -2.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5081 0.6426 -2.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2727 -1.7224 -2.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8121 -1.7784 -1.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7363 -0.7963 0.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9653 -2.2408 0.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1197 -1.0226 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2969 -0.8845 0.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2720 1.4956 0.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9861 1.2309 -1.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2600 2.5614 -0.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6258 0.9749 -0.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6169 1.7780 1.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2661 0.7127 2.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0810 1.6831 4.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5070 1.5038 3.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5191 -0.7158 4.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9242 -0.3870 5.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3692 -1.2855 2.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8197 -2.3169 3.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8714 -0.9163 3.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4174 0.1585 2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6581 -2.7978 2.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2195 -1.6783 0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7342 -1.9637 1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7601 -1.3669 2.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6046 0.1988 0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6404 0.8707 1.9635 H 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 9.1435 -1.0258 -3.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1151 -0.0192 -1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2933 -2.3895 -1.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0737 -2.3340 -1.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2378 -0.7407 0.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1870 -2.1994 1.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2553 -0.2461 1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3752 0.5433 0.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4493 -0.4846 0.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8902 -1.3634 -0.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9708 -3.1635 1.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6782 -2.1602 2.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2000 -3.3462 0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1493 -4.0366 1.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9067 -1.3813 2.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5684 -1.5678 0.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0290 -2.7330 1.9495 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 2 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 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 22 29 1 0 29 30 1 0 30 31 2 0 30 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 44 45 1 0 45 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 6 59 1 0 7 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 21 80 1 0 21 81 1 0 22 82 1 0 23 83 1 0 23 84 1 0 27 85 1 0 28 86 1 0 32 87 1 0 32 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 46117 1 0 M END