HMDB0115982 RDKit 3D CDP-DG(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)) 157158 0 0 0 0 0 0 0 0999 V2000 3.2057 0.6448 1.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8403 -0.4295 1.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8631 -1.2642 0.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0313 -0.4386 -0.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1459 -1.4148 -1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2711 -0.8771 -2.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8572 0.0128 -2.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6805 1.2986 -1.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9622 2.0667 -1.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7362 2.4478 -0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5138 2.1929 0.8632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3859 3.4583 1.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3402 3.7979 2.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1654 2.9982 2.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 2.5671 3.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0252 2.7164 4.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1158 3.4396 5.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9481 2.7249 6.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6719 1.4951 6.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7465 1.5393 5.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7298 2.4204 4.3761 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7565 0.6108 5.3121 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8114 0.5648 4.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2611 0.1366 3.0433 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0890 0.5638 1.8832 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4417 1.9052 2.0283 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3883 2.4276 0.7253 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.8062 1.9897 1.0162 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8626 1.6511 -0.6786 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3868 4.1036 0.5579 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1321 4.5069 -1.0598 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.3748 3.4276 -1.8069 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6352 4.6837 -1.8594 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3202 5.9892 -1.2224 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1155 5.8294 -1.8809 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4451 7.1969 -1.9804 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2026 7.7309 -0.7332 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9267 8.2184 -0.6647 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4773 8.1532 0.7160 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2254 7.7696 1.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8779 7.7341 2.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7709 8.0769 3.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4812 8.0622 4.7266 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0223 8.4583 2.9565 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3774 8.4974 1.6639 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5315 8.8498 1.3324 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1142 7.3204 -1.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0021 8.0147 -2.0483 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1041 7.0732 -2.6888 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9367 5.8262 -3.2453 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8165 -1.1791 3.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5192 -1.6113 3.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6244 -0.7397 3.2611 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2562 -3.0718 3.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8692 -3.4545 3.4732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7093 -4.9683 3.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3933 -5.4305 3.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4932 -5.8640 2.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1428 -5.8741 1.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1573 -4.9049 0.7303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0066 -5.1338 -0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1283 -6.4561 -0.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8948 -6.2366 -2.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7775 -6.4603 -3.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1131 -6.9648 -2.9781 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2154 -6.0172 -3.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3563 -5.5616 -4.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6219 -6.5929 -5.7439 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7412 -5.8339 -7.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0390 -6.7071 -8.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1402 -5.8374 -9.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4541 -6.7081 -10.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5474 1.6541 1.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0882 0.6653 1.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4712 0.5503 3.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5295 0.0364 0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4712 -1.1401 1.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4133 -2.0074 -0.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1382 -1.7871 0.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5791 0.4069 -0.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7552 -0.0563 -1.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7883 -2.2511 -1.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5116 -1.9930 -0.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9074 -0.4104 -3.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1589 -1.7764 -2.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2984 0.2554 -3.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7356 -0.5436 -1.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1273 1.8817 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4961 1.0417 -0.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2183 2.3065 -2.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6597 3.0138 -0.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5470 1.7884 1.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7475 1.4928 1.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2685 4.1541 1.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4302 4.8386 2.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6924 3.5847 1.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2097 2.0959 1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3143 1.9329 3.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6733 2.2408 5.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7393 3.9482 4.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6747 4.3329 6.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 2.5253 7.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 3.4916 6.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 1.2130 7.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0156 0.6106 6.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6308 -0.0842 4.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2170 1.5845 4.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2895 0.7443 3.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4965 0.4162 0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0509 -0.0093 1.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6369 1.4386 -1.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3288 5.0374 -1.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1875 5.4253 -2.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4426 5.1826 -1.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0504 7.8863 -2.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8209 9.2534 -1.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5751 7.5133 0.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1127 7.4318 2.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5086 8.0841 5.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2401 8.0282 5.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7952 6.3904 -1.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2615 7.4294 -2.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9459 7.8336 -3.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0248 5.4795 -3.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3687 -3.3636 1.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0341 -3.6715 3.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6045 -3.2606 4.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 -2.9843 2.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 -5.3053 2.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4286 -5.4092 4.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1587 -5.4022 4.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4731 -6.2182 3.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8147 -5.4622 1.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2623 -6.8960 0.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0887 -3.9066 1.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6950 -4.3457 -0.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4244 -7.2185 -0.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1301 -6.8165 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 -5.8623 -2.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4835 -6.2586 -4.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2549 -7.3147 -1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 -7.8465 -3.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0977 -5.0934 -2.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1859 -6.4664 -2.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5134 -4.8967 -5.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2479 -4.8563 -4.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -7.0761 -5.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8757 -7.3890 -5.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5083 -5.0430 -6.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7830 -5.2796 -7.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0121 -7.2361 -8.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2751 -7.4858 -8.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2079 -5.2696 -9.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9382 -5.1017 -9.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3163 -6.2789 -11.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5728 -6.7276 -11.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6634 -7.7363 -10.3260 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 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 2 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 2 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 2 0 64 65 1 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 49 36 1 0 45 39 1 0 1 73 1 0 1 74 1 0 1 75 1 0 2 76 1 0 2 77 1 0 3 78 1 0 3 79 1 0 4 80 1 0 4 81 1 0 5 82 1 0 5 83 1 0 6 84 1 0 6 85 1 0 7 86 1 0 7 87 1 0 8 88 1 0 8 89 1 0 9 90 1 0 10 91 1 0 11 92 1 0 11 93 1 0 12 94 1 0 13 95 1 0 14 96 1 0 14 97 1 0 15 98 1 0 16 99 1 0 17100 1 0 17101 1 0 18102 1 0 18103 1 0 19104 1 0 19105 1 0 23106 1 0 23107 1 0 24108 1 6 25109 1 0 25110 1 0 29111 1 0 33112 1 0 35113 1 0 35114 1 0 36115 1 6 38116 1 6 40117 1 0 41118 1 0 43119 1 0 43120 1 0 47121 1 0 48122 1 0 49123 1 6 50124 1 0 54125 1 0 54126 1 0 55127 1 0 55128 1 0 56129 1 0 56130 1 0 57131 1 0 58132 1 0 59133 1 0 59134 1 0 60135 1 0 61136 1 0 62137 1 0 62138 1 0 63139 1 0 64140 1 0 65141 1 0 65142 1 0 66143 1 0 66144 1 0 67145 1 0 67146 1 0 68147 1 0 68148 1 0 69149 1 0 69150 1 0 70151 1 0 70152 1 0 71153 1 0 71154 1 0 72155 1 0 72156 1 0 72157 1 0 M END