HMDB0291604 RDKit 3D CDP-DG(20:4(5Z,8Z,11Z,14Z)-OH(19S)/18:3(9Z,12Z,15Z)) 150151 0 0 0 0 0 0 0 0999 V2000 -17.8361 3.4919 7.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7370 2.7541 6.6771 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3111 3.6390 5.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0730 4.0543 5.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9557 3.7210 6.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4809 5.0091 6.9618 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2637 5.4262 6.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2463 4.6559 6.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1481 4.3770 7.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9184 4.7534 6.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4530 5.5162 5.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3764 4.6886 5.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8446 5.4308 3.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8108 4.6587 3.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5950 4.2883 3.8943 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6747 3.5205 2.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4119 3.0586 3.6497 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6225 2.3310 2.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5686 1.7712 2.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0314 2.2632 1.2901 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3676 1.6112 0.2453 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8708 2.6363 -0.7985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2317 1.9732 -1.8344 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9039 1.2243 -1.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4423 1.1086 -0.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5454 0.5140 -2.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8086 -0.1312 -2.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5252 -0.9160 -3.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8498 0.0171 -4.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0693 0.2283 -4.9335 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2660 -0.4233 -4.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 -1.1796 -5.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1527 -0.9489 -5.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0066 0.1049 -5.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2335 -0.5861 -4.7086 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4295 -0.3095 -5.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6048 0.7053 -6.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4641 1.7922 -5.7596 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5899 2.1359 -6.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1300 1.5075 -7.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4946 0.8827 -7.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5454 1.8232 -6.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7911 2.9217 -7.8437 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8790 3.8751 -7.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1718 2.4244 -9.0865 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2175 0.5724 -0.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6380 -0.4270 0.3996 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5881 -1.5706 -0.4499 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.6043 -0.8745 -1.3012 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4948 -2.3785 -1.4898 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2448 -2.6760 0.6141 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4922 -4.1883 -0.1144 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.7753 -4.1903 -1.4578 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1097 -4.4991 -0.4338 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7855 -5.4113 0.8142 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8885 -4.7925 1.6808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1896 -5.7826 2.5800 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0779 -6.4968 3.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2255 -7.4361 3.9686 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9363 -8.4842 4.6202 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8236 -9.2486 3.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5170 -10.2721 4.6168 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2886 -10.5053 5.9535 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9838 -11.5516 6.6617 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3925 -9.7212 6.5780 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7351 -8.7356 5.9215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9037 -8.0270 6.5521 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3077 -7.9197 2.8796 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0159 -7.9146 3.3172 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5234 -6.8785 1.7766 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3295 -6.4356 1.2557 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.6456 3.8099 6.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3926 4.3711 7.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2301 2.8201 8.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9978 2.4422 7.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2629 1.8592 6.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0606 3.9602 4.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7906 4.7207 4.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2504 3.1319 5.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3101 3.0942 7.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2204 5.6243 7.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9252 6.3925 7.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5938 3.7167 5.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9037 5.2713 5.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4021 3.8118 7.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1561 4.5044 7.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1721 5.7829 4.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8980 6.4537 6.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5579 4.4826 5.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7811 3.7190 4.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6731 5.6589 3.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4179 6.4226 4.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2448 3.6971 2.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4395 5.1870 2.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0703 5.2139 4.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8416 3.6524 4.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4585 4.1973 2.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2123 2.6485 2.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6890 2.3596 4.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8593 3.9275 4.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4665 1.1485 0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2509 3.3653 -0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 3.2049 -1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 1.2232 -3.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8455 -0.3102 -3.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6356 -0.7397 -1.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5014 0.7222 -2.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3150 -1.4535 -2.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7085 -1.6226 -3.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0192 0.5680 -5.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2265 0.9476 -5.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9610 -1.1520 -3.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8477 0.4084 -3.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3846 -1.9788 -5.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6142 -1.5478 -6.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5680 0.5546 -4.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1649 0.9459 -5.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1068 -1.3284 -3.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3062 -0.8089 -4.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7222 1.0245 -6.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1910 0.1129 -7.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1354 2.3301 -4.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1474 2.9667 -5.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4895 0.8509 -8.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3499 2.3620 -8.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8317 0.4697 -8.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4324 -0.0011 -6.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5108 1.2389 -6.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3954 2.2056 -5.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8759 3.5607 -7.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5969 4.3863 -6.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9945 4.6338 -8.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8432 3.3386 -7.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9695 1.8620 -9.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1212 1.1356 -0.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6888 0.1132 -1.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7955 -2.7550 -0.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3237 -4.6074 -1.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0915 -4.3390 1.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3257 -3.9630 2.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4926 -5.2259 3.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5927 -6.8360 4.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9858 -9.0461 2.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2298 -10.8822 4.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8833 -11.3009 7.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6105 -12.5069 6.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6161 -8.8938 2.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1468 -7.2682 4.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2373 -7.2208 1.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3406 -6.3800 1.9670 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 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 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 21 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 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 2 0 62 63 1 0 63 64 1 0 63 65 2 0 65 66 1 0 66 67 2 0 59 68 1 0 68 69 1 0 68 70 1 0 70 71 1 0 70 57 1 0 66 60 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 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 12 90 1 0 13 91 1 0 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 15 96 1 0 16 97 1 0 16 98 1 0 17 99 1 0 17100 1 0 21101 1 1 22102 1 0 22103 1 0 26104 1 0 26105 1 0 27106 1 0 27107 1 0 28108 1 0 28109 1 0 29110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 6 44131 1 0 44132 1 0 44133 1 0 45134 1 0 46135 1 0 46136 1 0 50137 1 0 54138 1 0 56139 1 0 56140 1 0 57141 1 1 59142 1 1 61143 1 0 62144 1 0 64145 1 0 64146 1 0 68147 1 6 69148 1 0 70149 1 6 71150 1 0 M END