HMDB0292317 RDKit 3D CDP-DG(20:4(8Z,11Z,14Z,17Z)/20:3(6,8,11)-OH(5)) 156157 0 0 0 0 0 0 0 0999 V2000 -2.2451 7.7324 0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2004 7.3108 1.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5548 8.5525 2.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3168 8.7396 3.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6711 7.7673 4.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4402 8.3652 4.8223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2667 7.8080 4.6178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0072 6.5766 3.8604 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6152 5.5157 4.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7790 4.9412 4.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5929 5.3747 3.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7808 4.2345 2.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9611 3.7678 2.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1914 4.3288 2.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1203 3.5365 3.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7729 2.3414 2.8614 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9386 1.1823 2.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8171 0.0108 1.9876 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8168 -1.0889 1.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0558 -1.5889 2.7529 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4328 -1.3383 3.9286 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8834 -2.3549 2.6474 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2548 -2.7651 3.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9919 -3.5041 3.6857 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1397 -4.8274 2.9448 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4746 -4.6385 1.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6206 -6.0305 0.7151 P 0 0 0 0 0 5 0 0 0 0 0 0 3.5874 -7.0143 1.3191 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1197 -6.7983 0.6034 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0501 -5.6230 -0.8924 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5469 -4.0131 -0.9508 P 0 0 0 0 0 5 0 0 0 0 0 0 2.6255 -3.2236 -0.0258 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1122 -3.8685 -0.3574 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4637 -3.4037 -2.5265 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4257 -2.4061 -2.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3526 -1.8576 -4.0746 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1212 -1.2778 -4.4136 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3964 -0.6739 -5.6503 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3929 0.3502 -5.8578 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6882 1.3538 -6.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7604 2.3322 -6.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5304 2.2738 -6.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3949 3.3054 -6.5503 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2691 1.2513 -5.4727 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1857 0.3026 -5.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8893 -0.6501 -4.4631 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8017 -0.1580 -5.6002 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6488 -0.7390 -6.5356 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2406 -0.6082 -4.2202 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5857 -0.9601 -4.1643 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0073 -2.7136 3.0588 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1623 -2.4177 3.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2547 -2.8716 4.9758 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2092 -1.6140 3.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8631 -1.1947 1.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -0.4241 1.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9191 0.0475 -0.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8989 0.9182 -0.3781 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2484 0.4827 -0.7482 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1881 -0.4294 -0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5396 -0.2116 -1.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4176 -1.1822 -1.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8029 -1.2610 -1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9125 -2.3970 -2.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8206 -2.9949 -2.9433 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8890 -4.1379 -3.9123 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1541 -5.3016 -3.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2024 -6.5451 -4.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3336 -7.6114 -3.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9129 -7.1574 -3.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9105 -8.1180 -2.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 -7.4877 -3.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4595 -6.1411 -2.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6274 6.8972 -0.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5574 8.5121 0.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8676 8.1851 -0.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8144 6.4966 1.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1649 6.9290 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0415 9.3358 1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5963 9.6949 3.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5423 6.7780 3.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4140 7.6895 5.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5009 9.3166 5.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5954 8.3146 5.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9666 6.1186 3.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5051 6.8585 2.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0624 5.1390 5.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1613 4.1411 5.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1171 6.1710 2.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5481 5.8441 3.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8992 3.7379 1.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9907 2.9276 1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8229 4.4916 1.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1538 5.3982 2.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9647 4.2692 3.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6515 3.3434 4.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5211 1.9281 3.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4929 2.6126 2.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3899 0.8183 3.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3073 1.3949 1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4554 -0.3695 2.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4224 0.2555 1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3147 -1.8427 0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0798 -0.5637 0.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0802 -1.8228 4.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0147 -3.3158 4.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6412 -3.7783 4.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2195 -5.4051 3.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9113 -5.4176 3.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4304 -6.1638 0.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2324 -4.4896 0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2164 -1.6072 -1.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4140 -2.8715 -2.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6954 -2.5629 -4.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3773 -1.4249 -6.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6305 1.3953 -7.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9857 3.1637 -7.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2072 3.4300 -5.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 3.9252 -7.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8663 0.9675 -5.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1806 -1.4377 -6.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9933 0.1416 -3.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0946 -0.1190 -4.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4742 -0.7119 3.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 -2.2121 3.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0778 -0.6406 1.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7327 -2.1449 1.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9566 -1.0516 1.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1319 0.4683 1.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7049 -0.9013 -0.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5134 0.8371 -1.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4083 1.4591 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9189 -1.4354 -0.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8747 0.7135 -1.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0373 -2.1313 -0.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5012 -1.4623 -0.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1888 -0.3609 -2.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8957 -2.6546 -2.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8571 -2.6972 -2.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9370 -4.4578 -4.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4126 -3.8374 -4.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1676 -5.0004 -2.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7471 -5.4821 -2.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2283 -6.9578 -4.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7375 -6.3748 -5.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6463 -7.6414 -2.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5066 -8.6120 -3.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7476 -6.1667 -3.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6532 -7.1464 -4.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1036 -8.1460 -1.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9512 -9.0943 -3.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4379 -7.3020 -4.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -8.1636 -2.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8812 -6.0962 -1.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3745 -5.8844 -2.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 -5.3309 -3.0489 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 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 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 2 0 31 33 1 0 31 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 2 0 41 42 1 0 42 43 1 0 42 44 2 0 44 45 1 0 45 46 2 0 38 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 24 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 59 60 2 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 2 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 49 36 1 0 45 39 1 0 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 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 8 86 1 0 9 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 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 18101 1 0 18102 1 0 19103 1 0 19104 1 0 23105 1 0 23106 1 0 24107 1 1 25108 1 0 25109 1 0 29110 1 0 33111 1 0 35112 1 0 35113 1 0 36114 1 6 38115 1 6 40116 1 0 41117 1 0 43118 1 0 43119 1 0 47120 1 1 48121 1 0 49122 1 1 50123 1 0 54124 1 0 54125 1 0 55126 1 0 55127 1 0 56128 1 0 56129 1 0 57130 1 0 58131 1 0 59132 1 0 60133 1 0 61134 1 0 62135 1 0 63136 1 0 63137 1 0 64138 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 70148 1 0 70149 1 0 71150 1 0 71151 1 0 72152 1 0 72153 1 0 73154 1 0 73155 1 0 73156 1 0 M END