HMDB0290883 RDKit 3D CDP-DG(16:1(9Z)/20:4(5Z,8Z,11Z,13E)-OH(15S)) 148149 0 0 0 0 0 0 0 0999 V2000 -10.3209 1.6721 1.9502 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3997 0.6439 1.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3916 0.8082 -0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4979 -0.1745 -0.8836 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0545 -0.0650 -0.4438 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1685 -1.0258 -1.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5752 -2.4059 -0.9867 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7894 -3.2983 -0.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4254 -3.0467 -0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 -3.9385 -0.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0564 -3.7810 -0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2994 -4.6493 -1.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -4.6510 -1.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6663 -5.1747 -0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1632 -5.1697 0.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7765 -3.8321 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4847 -3.4392 0.9779 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6388 -2.9638 -1.0494 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2867 -1.7023 -0.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8477 -0.8978 -2.2396 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7469 0.2855 -2.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5861 0.9868 -3.4783 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7282 2.2297 -3.5482 P 0 0 0 0 0 5 0 0 0 0 0 0 4.4692 3.1234 -4.7449 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6839 3.0944 -2.1114 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 1.4424 -3.7227 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4874 2.3815 -3.1132 P 0 0 0 0 0 5 0 0 0 0 0 0 8.7181 1.4722 -3.0093 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8438 3.5685 -4.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1533 3.0864 -1.6372 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1228 2.1896 -0.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8424 2.8893 0.7169 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6318 3.5595 0.7217 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4395 3.9127 2.0470 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0478 4.2061 2.3261 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6003 4.0436 3.5777 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2705 4.3109 3.8945 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4193 4.7406 2.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 5.0231 3.2152 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8954 4.8931 1.6857 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1932 4.6296 1.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 4.7946 0.2075 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8742 2.7205 2.8419 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8045 3.1333 3.8233 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6237 1.8773 1.8334 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8446 1.4361 2.3403 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4785 -0.7328 -2.2319 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6503 -1.0627 -3.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1499 -1.4776 -4.3569 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7995 -0.9529 -3.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5725 -0.5438 -4.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3973 0.8728 -4.7488 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0233 1.2588 -5.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6071 2.2245 -4.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0601 3.0607 -3.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9679 2.8970 -2.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6114 2.4300 -1.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7434 1.9875 -0.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2036 2.8160 0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5177 2.2380 1.6261 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4515 0.8172 1.8692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8001 0.3783 3.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7602 -1.0615 3.4251 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9401 -1.1578 4.5712 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1397 -1.6042 3.7133 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7221 -0.8505 4.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1006 -1.3390 5.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1007 -2.8019 5.6327 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4881 -3.2725 5.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0224 1.8766 2.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3153 2.6220 1.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3756 1.3267 1.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3867 0.7142 1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8414 -0.3529 1.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4224 0.8210 -0.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9846 1.8177 -0.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9037 -1.1992 -0.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5245 0.0269 -1.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9891 -0.3011 0.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7291 0.9891 -0.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1081 -0.7876 -1.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4046 -0.8056 -2.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6226 -2.6486 -1.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1697 -4.3250 -0.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0633 -2.0348 0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2974 -3.4826 0.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7596 -5.0084 -0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6965 -3.7746 -2.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7219 -2.7413 -0.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9409 -4.2444 0.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4749 -4.3567 -2.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6391 -5.7144 -1.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5216 -3.6016 -1.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6858 -5.2889 -2.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2586 -4.5661 0.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3559 -6.2567 0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4589 -5.6688 1.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5599 -5.7920 -0.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3808 -1.7943 -1.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9565 -1.0876 -0.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0862 -1.4807 -3.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5828 0.9300 -1.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7943 -0.0803 -2.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0668 4.0102 -2.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0856 3.6689 -4.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0844 1.6652 -0.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3516 1.3929 -0.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6741 3.5671 1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0936 4.8017 2.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2278 3.7036 4.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9214 4.1740 4.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2767 5.0421 4.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6008 5.2074 2.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0588 2.1409 3.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2732 3.9194 3.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0172 1.0556 1.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2335 0.8162 1.7019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -1.9660 -2.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0691 -0.2730 -2.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3589 -1.2489 -5.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6716 -0.7800 -4.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9649 1.5713 -4.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9323 0.9443 -5.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4882 0.7049 -5.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6541 2.4120 -4.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1358 4.1213 -3.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9786 2.8621 -3.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0299 3.2155 -2.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3693 2.3485 -0.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4898 2.0381 -1.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6139 0.9154 -0.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2677 3.8824 0.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8462 2.9437 2.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1613 0.0356 1.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1189 1.0576 3.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2307 -1.6545 2.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 -1.3648 4.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9862 -2.6883 4.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8089 -1.4835 2.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0446 -0.8704 5.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8286 0.2133 4.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7932 -1.2038 4.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4699 -0.7117 6.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4650 -2.8876 6.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6970 -3.4507 4.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5974 -4.3724 5.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7970 -3.0154 7.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2188 -2.8187 5.2665 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 2 0 8 9 1 0 9 10 1 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 23 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 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 2 0 37 38 1 0 38 39 1 0 38 40 2 0 40 41 1 0 41 42 2 0 34 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 20 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 63 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 45 32 1 0 41 35 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 3 76 1 0 4 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 6 82 1 0 7 83 1 0 8 84 1 0 9 85 1 0 9 86 1 0 10 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 91 1 0 12 92 1 0 13 93 1 0 13 94 1 0 14 95 1 0 14 96 1 0 15 97 1 0 15 98 1 0 19 99 1 0 19100 1 0 20101 1 6 21102 1 0 21103 1 0 25104 1 0 29105 1 0 31106 1 0 31107 1 0 32108 1 1 34109 1 1 36110 1 0 37111 1 0 39112 1 0 39113 1 0 43114 1 1 44115 1 0 45116 1 6 46117 1 0 50118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 54125 1 0 55126 1 0 55127 1 0 56128 1 0 57129 1 0 58130 1 0 58131 1 0 59132 1 0 60133 1 0 61134 1 0 62135 1 0 63136 1 6 64137 1 0 65138 1 0 65139 1 0 66140 1 0 66141 1 0 67142 1 0 67143 1 0 68144 1 0 68145 1 0 69146 1 0 69147 1 0 69148 1 0 M END