HMDB0286270 RDKit 3D PC(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/18:0) 139138 0 0 0 0 0 0 0 0999 V2000 3.8929 -3.0449 -5.7499 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0961 -2.5664 -4.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0571 -1.0955 -4.9198 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9599 -0.3518 -3.8401 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8799 -0.9964 -2.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0794 -1.7048 -2.3381 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8343 0.1317 -1.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7527 -0.4765 -0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7325 -0.2444 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7393 -0.8880 2.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 -0.7292 2.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 0.1547 2.6831 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6214 1.2395 3.7014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6235 1.4581 4.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6605 0.7348 4.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8631 0.1671 5.9076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1972 -1.0466 6.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4778 -2.1829 5.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7263 -3.4334 5.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6934 -3.5582 5.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 -3.4444 3.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1184 -3.7658 3.3047 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0556 -3.0215 2.7879 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 -2.9050 1.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0026 -2.4176 0.8147 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1357 -3.3639 1.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2379 -3.7145 2.4624 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5550 -4.7527 2.6499 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.7221 -5.1962 4.0816 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9926 -3.9962 2.1365 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.2881 -6.1334 1.7133 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2218 -6.8323 2.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0075 -8.0695 1.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9504 -8.9147 1.9368 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.5004 -8.6160 3.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3187 -10.3131 1.8355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1879 -8.7098 1.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0369 -2.1787 -0.5708 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2823 -0.9191 -1.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4548 -0.0042 -0.2594 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3253 -0.7485 -2.5489 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0925 -0.3556 -3.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5024 0.9405 -2.8198 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 2.1006 -2.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2849 3.3339 -2.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5424 4.5941 -2.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7404 4.4724 -1.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1869 4.2365 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3173 5.2221 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6329 6.5213 0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2753 7.6693 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6986 7.6711 -0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1026 9.0324 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3062 9.4059 -1.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4028 8.4374 -2.9777 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 9.0188 -4.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5327 8.1550 -5.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9534 -2.8841 -5.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -2.4741 -6.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0202 -4.1265 -6.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0019 -2.8619 -5.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1244 -3.0522 -3.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1138 -0.5830 -5.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9381 0.7479 -3.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0418 -1.6829 -2.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9699 -2.4059 -1.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7992 0.6665 -1.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9976 0.8191 -1.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5298 -1.1319 0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9962 0.4223 0.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5744 -1.5587 2.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8785 -1.2299 3.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 -0.3581 2.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7781 0.6447 1.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 1.8843 3.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7156 2.2984 5.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 1.5250 4.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8178 -0.0247 3.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6932 0.9130 6.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2861 -1.2565 7.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 -2.4549 5.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5239 -1.8373 4.2568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8104 -3.6945 6.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3004 -4.3050 5.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2902 -2.7583 5.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 -4.5247 5.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4767 -3.9385 0.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1349 -2.2626 1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2257 -1.4508 1.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0478 -4.2612 0.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0894 -2.8403 0.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3573 -6.1426 2.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5117 -7.0597 3.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8151 -7.6866 0.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9318 -8.6713 1.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1916 -7.7589 3.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1284 -9.4974 3.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3181 -8.5740 4.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1755 -10.3769 1.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 -10.7389 2.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5106 -10.9342 1.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1264 -8.9498 0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0216 -9.3885 1.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4651 -7.6450 1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6863 -1.7095 -3.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1273 -0.0097 -2.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3827 -0.2081 -4.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6393 -1.1909 -3.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7859 0.8299 -1.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4184 1.1255 -3.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3825 1.8946 -2.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6798 2.2362 -4.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8342 3.2170 -1.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0869 3.4897 -3.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9313 4.8134 -3.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0641 5.4373 -2.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3663 3.5970 -1.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3361 5.3410 -1.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0987 4.0162 0.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6783 3.2008 -0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2226 4.6427 1.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6464 5.3320 -0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4098 6.9248 1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1312 6.3804 1.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6133 7.9899 -0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1341 8.5833 0.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1112 6.9398 -0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2746 7.5298 0.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1718 8.9377 -0.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9889 9.7619 0.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2122 9.5592 -1.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 10.4096 -2.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4221 8.2377 -3.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9352 7.4890 -2.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5225 9.1858 -3.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9369 10.0471 -4.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8641 8.7386 -6.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5293 7.7405 -5.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2045 7.2696 -5.1691 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 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 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 1 0 33 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 25 38 1 0 38 39 1 0 39 40 2 0 39 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 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 24 87 1 0 24 88 1 0 25 89 1 1 26 90 1 0 26 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 35 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 37104 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 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 57139 1 0 M CHG 2 30 -1 34 1 M END