HMDB0293903 RDKit 3D CDP-DG(20:4(5E,8Z,12Z,14Z)-OH(11R)/i-18:0) 156157 0 0 0 0 0 0 0 0999 V2000 -3.9249 4.8071 -0.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6624 5.2469 -1.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8296 4.2942 -2.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5619 3.0238 -2.5307 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9291 2.0906 -1.5537 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7400 0.8601 -1.3728 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2903 -0.3225 -1.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9764 -0.5686 -2.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6027 -1.8310 -2.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5469 -2.9131 -2.2466 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6934 -2.7803 -3.0613 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9103 -4.2618 -2.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4289 -4.4936 -3.8177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1995 -4.8088 -4.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0721 -4.9895 -3.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0865 -4.1293 -3.5664 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6476 -3.1999 -2.8203 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8162 -2.4377 -3.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5901 -0.9836 -3.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 -0.1801 -3.9693 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9664 -0.2466 -3.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8134 -1.1349 -3.4003 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2409 0.6294 -2.1302 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3914 0.6216 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3594 1.6670 -0.2513 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1788 1.3701 0.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3525 0.0102 1.0483 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2196 -0.5731 2.1215 P 0 0 0 0 0 5 0 0 0 0 0 0 1.9850 0.2975 2.2219 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7175 -2.1326 1.7027 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8520 -0.6625 3.7076 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3491 -2.0438 4.5185 P 0 0 0 0 0 5 0 0 0 0 0 0 3.0141 -1.7140 5.9662 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6081 -3.1682 4.5023 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9888 -2.6797 3.7186 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0978 -3.2093 4.6472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0877 -3.7833 3.9479 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2374 -4.8216 3.0519 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0701 -5.2247 2.6916 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0998 -6.3007 1.7573 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8548 -7.4011 1.9035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8317 -8.4108 0.9392 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0321 -8.2954 -0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0017 -9.3198 -1.1651 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2931 -7.1727 -0.2841 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3181 -6.2031 0.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3975 -5.1582 0.5073 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7376 -5.4835 3.9967 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0774 -5.1863 4.0143 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0116 -4.5049 4.9133 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8804 -3.6244 5.5419 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3300 2.9958 -0.6688 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2268 3.9040 -0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0416 3.4102 0.6928 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4248 5.3119 -0.4463 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4996 6.2774 0.2457 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4583 6.0896 1.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6990 7.0578 2.5252 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3053 7.3682 2.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3087 6.2917 2.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0908 5.3716 3.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9577 4.4361 2.8448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1481 3.6748 1.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0316 2.7598 1.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0303 1.9793 0.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0903 2.9746 -1.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1506 2.1990 -2.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2669 3.2026 -3.4875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3341 2.5867 -4.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 3.6528 -5.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4272 1.5699 -5.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3241 5.7109 -0.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6151 4.6243 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 4.0357 -0.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6449 5.6791 -1.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1221 6.1426 -2.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3348 4.8630 -3.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8005 4.0983 -3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6175 3.2680 -2.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6974 2.5324 -3.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9099 2.5424 -0.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9095 1.8725 -1.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7691 0.9395 -0.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9343 -1.2038 -1.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2319 0.1664 -2.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6401 -2.0188 -2.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8655 -2.8775 -1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7691 -3.6076 -3.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7752 -5.0053 -2.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2113 -4.5017 -1.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1916 -4.3866 -4.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0125 -4.9572 -5.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7717 -6.0857 -3.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3748 -4.8735 -2.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4908 -4.3280 -4.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2284 -3.0255 -1.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0508 -2.8697 -4.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -2.7271 -2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2628 -0.6272 -2.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7199 -0.7796 -4.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9987 -0.5306 -5.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3791 0.8616 -4.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4821 -0.3588 -0.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3249 0.7733 -1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2318 1.5215 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2328 1.5774 0.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4044 1.9544 1.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7791 -2.1043 1.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1016 -3.1006 5.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7434 -2.3673 5.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5778 -3.9798 5.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6545 -2.9924 3.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5343 -4.2843 2.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 -7.4682 2.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4464 -9.2778 1.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2023 -9.1725 -2.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7639 -10.2982 -0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6047 -6.5207 4.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2274 -4.2638 3.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4099 -5.0694 5.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6772 -2.6929 5.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3240 5.5547 -1.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4603 5.6551 -0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4812 6.1527 -0.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7829 7.3302 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5306 6.1292 2.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0530 5.0715 1.9477 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7088 6.6676 3.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2549 8.0340 2.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9236 8.0690 2.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2229 7.9968 1.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3121 6.7907 1.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4981 5.7077 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7397 5.9432 4.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9715 4.7718 3.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7809 3.7580 3.6905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0376 5.0835 2.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2504 4.3471 0.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0687 3.0766 1.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1002 2.0637 2.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9445 3.4315 1.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8091 1.2794 -0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9777 1.3988 0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8618 3.7267 -0.9397 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9054 3.4994 -1.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9699 1.4854 -2.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8688 1.7401 -2.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6544 3.8383 -3.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1195 3.8932 -3.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6384 2.0681 -5.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3966 4.2209 -5.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3485 3.1477 -6.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4244 4.3137 -5.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0831 1.8829 -5.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9782 0.5574 -5.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0152 1.5426 -4.0675 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 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 28 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 32 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 2 0 42 43 1 0 43 44 1 0 43 45 2 0 45 46 1 0 46 47 2 0 39 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 25 52 1 0 52 53 1 0 53 54 2 0 53 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 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 69 71 1 0 50 37 1 0 46 40 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 3 78 1 0 4 79 1 0 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 0 7 84 1 0 8 85 1 0 9 86 1 0 10 87 1 1 11 88 1 0 12 89 1 0 12 90 1 0 13 91 1 0 14 92 1 0 15 93 1 0 15 94 1 0 16 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 20101 1 0 20102 1 0 24103 1 0 24104 1 0 25105 1 1 26106 1 0 26107 1 0 30108 1 0 34109 1 0 36110 1 0 36111 1 0 37112 1 6 39113 1 6 41114 1 0 42115 1 0 44116 1 0 44117 1 0 48118 1 1 49119 1 0 50120 1 1 51121 1 0 55122 1 0 55123 1 0 56124 1 0 56125 1 0 57126 1 0 57127 1 0 58128 1 0 58129 1 0 59130 1 0 59131 1 0 60132 1 0 60133 1 0 61134 1 0 61135 1 0 62136 1 0 62137 1 0 63138 1 0 63139 1 0 64140 1 0 64141 1 0 65142 1 0 65143 1 0 66144 1 0 66145 1 0 67146 1 0 67147 1 0 68148 1 0 68149 1 0 69150 1 0 70151 1 0 70152 1 0 70153 1 0 71154 1 0 71155 1 0 71156 1 0 M END