HMDB0288664 RDKit 3D PC(24:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 159158 0 0 0 0 0 0 0 0999 V2000 -0.7688 7.5964 0.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1344 6.3717 0.9109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7116 6.2067 2.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5058 5.1516 2.9819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3076 4.0165 2.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5856 2.7669 2.5861 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6016 3.0013 1.6703 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1361 1.5485 2.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2023 0.3375 2.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -0.8116 2.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2593 -2.0517 2.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0376 -3.1972 2.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7723 -4.4589 2.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3735 -4.7689 3.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6772 -5.9931 3.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0883 -7.1640 3.1023 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4523 -7.0572 3.0955 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4548 -7.9365 1.9641 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8542 -7.9551 2.0727 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0093 -7.6613 0.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4829 -7.8782 0.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 -7.6477 -1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5623 -6.2955 -1.5747 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3642 -5.3295 -1.4713 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3371 -6.0198 -2.1937 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -4.6619 -2.6832 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2951 -4.8364 -4.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5672 -3.8052 -4.9265 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -2.8892 -4.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4716 -2.9416 -4.1372 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5865 -1.7930 -6.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -0.7663 -5.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6803 -0.1734 -4.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9595 0.5526 -4.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1727 1.7502 -5.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4253 2.4753 -4.6909 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 3.1037 -3.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6997 4.2442 -2.9972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2456 4.2288 -2.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5099 3.2865 -2.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9885 3.5885 -2.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8223 2.5876 -1.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2466 2.9534 -1.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2687 2.0888 -1.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2268 1.9274 0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3591 3.1881 1.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3149 2.7175 2.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4134 3.8314 3.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3962 3.2787 4.9995 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1606 2.4847 5.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3222 2.0030 6.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1147 1.1820 7.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9664 -0.0405 6.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -4.1689 -1.7578 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1607 -4.9285 -1.8624 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3693 -4.3516 -0.8290 P 0 0 0 0 0 5 0 0 0 0 0 0 3.0840 -4.7278 0.5911 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8708 -4.9634 -1.3248 O 0 0 0 0 0 1 0 0 0 0 0 0 3.3875 -2.6431 -0.9016 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2681 -2.0891 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1823 -0.5859 -0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0432 0.1435 0.7173 N 0 0 0 0 0 4 0 0 0 0 0 0 5.5793 -0.6802 1.7862 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1130 0.7416 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3463 1.2528 1.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3548 7.7400 1.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4724 7.5483 -0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1758 8.5396 0.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 6.6435 0.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2905 5.4816 0.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3543 7.0284 2.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9805 5.1173 3.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8744 4.0786 1.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0541 3.8163 3.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0276 2.6492 3.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6082 2.3756 0.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0427 1.6640 1.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0873 0.2107 3.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4856 -0.6989 1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6344 -2.1236 3.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9266 -2.9749 1.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4766 -5.1862 1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0255 -3.9344 3.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5906 -6.1565 4.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0836 -7.8938 4.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8495 -7.9426 3.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1705 -9.0315 2.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1492 -7.0121 2.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3245 -6.6709 0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5266 -8.3996 -0.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1414 -7.2653 0.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7516 -8.9557 0.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2263 -8.3891 -1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8964 -7.9698 -1.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9868 -4.0587 -2.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5179 -5.4635 -4.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1389 -5.6292 -4.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3943 -2.1927 -7.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5591 -1.2811 -6.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -1.2193 -5.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5291 0.0729 -6.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5136 -1.0057 -3.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 0.5775 -4.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 0.8098 -3.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7779 -0.2225 -4.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3689 1.2723 -6.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2744 2.3465 -5.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2748 1.7668 -4.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 3.2681 -5.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5693 2.3022 -2.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 3.4836 -3.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0058 5.1128 -3.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0424 4.6675 -1.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9387 5.2785 -2.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 4.2394 -3.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7729 3.4742 -1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5942 2.2292 -2.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2511 4.6002 -2.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1824 3.3338 -3.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5312 1.5906 -1.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4813 2.7023 -0.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4222 2.9005 -2.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3526 4.0332 -1.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2705 2.5652 -1.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3132 1.1219 -1.6678 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0906 1.2577 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2881 1.4385 0.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3178 3.6857 0.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5148 3.8578 0.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3558 2.1470 2.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1208 2.0074 2.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3430 4.4065 3.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5818 4.5639 3.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4431 4.1202 5.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2777 2.6444 5.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0186 1.5980 4.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2516 3.1172 5.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3686 2.8528 7.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2244 1.3935 6.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2636 0.7684 8.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1755 1.7558 7.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2104 0.1721 5.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6741 -0.9396 6.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9364 -0.1970 5.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2229 -3.1221 -1.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6153 -4.2560 -0.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3036 -2.3752 -0.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1181 -2.4035 1.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4021 -0.2986 -1.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1421 -0.2455 0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3155 -0.0394 2.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1263 -1.5568 1.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7829 -0.9297 2.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3498 1.7822 0.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0558 0.1771 -0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8284 0.8377 -1.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 0.9129 1.9826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1173 1.7880 1.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9994 1.9220 0.5587 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 26 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 56 58 1 0 56 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 62 64 1 0 62 65 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 1 7 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 15 84 1 0 16 85 1 1 17 86 1 0 18 87 1 1 19 88 1 0 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 22 93 1 0 22 94 1 0 26 95 1 6 27 96 1 0 27 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 39115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 42120 1 0 42121 1 0 43122 1 0 43123 1 0 44124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 50136 1 0 50137 1 0 51138 1 0 51139 1 0 52140 1 0 52141 1 0 53142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 60147 1 0 60148 1 0 61149 1 0 61150 1 0 63151 1 0 63152 1 0 63153 1 0 64154 1 0 64155 1 0 64156 1 0 65157 1 0 65158 1 0 65159 1 0 M CHG 2 58 -1 62 1 M END