HMDB0292052 RDKit 3D CDP-DG(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/20:3(8Z,11Z,14Z)) 158159 0 0 0 0 0 0 0 0999 V2000 -5.1951 0.1675 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0011 0.2654 -1.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1609 -1.0170 -1.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6869 -1.2505 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8568 -2.5233 0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -2.4449 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5428 -2.5158 0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -2.6786 1.6547 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3955 -3.9367 1.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4717 -4.0710 2.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3071 -3.0050 3.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -3.4058 4.7422 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0872 -2.7608 5.7863 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5892 -1.4070 5.9839 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2408 -1.4702 6.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1027 -1.9515 5.8913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5581 -0.9295 5.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3557 -0.1227 4.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4617 0.8326 3.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4043 1.6992 2.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0664 2.4885 1.5955 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8132 1.7365 2.5826 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5789 2.5911 1.8118 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7562 2.1275 1.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5877 1.0898 0.1198 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6923 0.7323 -0.6439 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7639 1.4024 -0.3769 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7521 -0.2794 -1.6606 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6014 -0.6588 -2.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9531 0.2698 -3.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3532 1.5213 -2.9356 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3651 2.3471 -2.4172 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 2.3003 -3.9015 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9968 3.4331 -3.2366 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4273 1.5668 -4.5472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0937 0.4414 -4.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1989 -0.1782 -4.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7315 -1.3249 -4.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8217 -1.9331 -5.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3112 -3.0873 -4.8696 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8676 -3.8643 -3.7508 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4252 -5.0309 -3.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9219 -5.7842 -2.2803 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5259 -5.5817 -2.2362 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1055 -7.2753 -2.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5904 -8.1001 -1.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2587 -7.8189 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6674 -8.6990 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3815 -8.3740 2.3457 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0552 3.7839 2.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8227 4.5806 1.8529 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4300 5.9327 2.6692 P 0 0 0 0 0 5 0 0 0 0 0 0 3.3317 6.7662 3.2603 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 5.4776 3.9543 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3769 6.8112 1.5832 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4791 7.7522 0.5322 P 0 0 0 0 0 5 0 0 0 0 0 0 4.3214 6.9335 -0.7544 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3022 9.1693 0.2023 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9004 8.0324 1.0907 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9705 7.8552 0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5512 8.1022 0.5814 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3523 7.9200 -0.4281 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5735 7.5990 0.1438 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2886 6.7326 -0.7757 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 6.0706 -1.7704 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4041 5.2588 -2.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7598 5.1117 -2.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5454 4.2888 -3.3059 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3432 5.8006 -1.4425 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6043 6.5784 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2166 7.1918 0.2876 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2835 6.8733 1.4178 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9963 7.4750 2.4485 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1862 7.0891 1.6315 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3810 7.6404 2.9161 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3522 -0.8592 0.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1420 0.4090 -0.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1066 0.8695 0.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3450 0.3953 -2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3457 1.1282 -0.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3096 -0.8724 -1.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7924 -1.8383 -1.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5647 -1.3145 1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0685 -0.3659 0.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 -2.8819 1.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4947 -3.3484 0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8071 -2.3236 -1.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4583 -2.4741 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -2.3673 2.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5225 -1.8754 1.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9344 -4.8738 1.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8809 -5.1154 2.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8901 -2.0432 3.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3232 -3.1300 2.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7674 -4.4905 4.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2166 -3.3016 6.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2737 -0.9554 6.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6821 -0.7293 5.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3241 -2.1340 7.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0135 -0.4577 7.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4046 -2.7899 5.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7204 -2.3968 6.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2666 -1.4499 4.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2275 -0.2502 5.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9112 0.6085 4.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0996 -0.6360 3.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0651 1.4774 3.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 0.2036 2.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8837 3.1364 1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5876 1.7494 1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2473 2.9651 0.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6630 -0.0672 -2.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1118 -1.2606 -1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7942 -1.1061 -1.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8638 -1.5882 -3.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2339 -0.3210 -4.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8143 0.5648 -4.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7041 1.3083 -2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9751 3.2403 -2.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2028 2.7142 -4.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6602 4.0347 -3.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0182 2.0007 -5.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2159 -0.0476 -3.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5873 0.3087 -5.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3235 -1.7945 -3.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2364 -1.4150 -6.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1395 -3.4799 -5.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0709 -3.5341 -3.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2349 -5.3975 -4.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3961 -5.4533 -1.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3235 -5.2212 -1.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6502 -7.5820 -3.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2173 -7.4474 -2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4894 -7.9126 -1.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6428 -9.1874 -1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0772 -6.7750 0.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3256 -8.0945 -0.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5727 -8.4898 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8292 -9.7845 0.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3189 -9.2543 3.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4653 -8.1828 2.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9096 -7.5078 2.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1655 4.3648 2.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6983 3.4438 3.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4029 5.4504 3.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1360 9.2085 0.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1832 8.6333 -0.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0075 6.8795 -0.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5145 9.1043 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2146 8.4875 0.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6002 6.2139 -1.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9073 4.7276 -3.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2009 3.4171 -3.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5370 4.5384 -3.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5473 5.7884 1.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4633 8.2035 2.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7723 6.1503 1.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5793 6.8752 3.5127 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 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 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 23 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 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 63 64 1 0 64 65 1 0 65 66 2 0 66 67 1 0 67 68 1 0 67 69 2 0 69 70 1 0 70 71 2 0 63 72 1 0 72 73 1 0 72 74 1 0 74 75 1 0 74 61 1 0 70 64 1 0 1 76 1 0 1 77 1 0 1 78 1 0 2 79 1 0 2 80 1 0 3 81 1 0 3 82 1 0 4 83 1 0 4 84 1 0 5 85 1 0 5 86 1 0 6 87 1 0 7 88 1 0 8 89 1 0 8 90 1 0 9 91 1 0 10 92 1 0 11 93 1 0 11 94 1 0 12 95 1 0 13 96 1 0 14 97 1 0 14 98 1 0 15 99 1 0 15100 1 0 16101 1 0 16102 1 0 17103 1 0 17104 1 0 18105 1 0 18106 1 0 19107 1 0 19108 1 0 23109 1 6 24110 1 0 24111 1 0 28112 1 0 28113 1 0 29114 1 0 29115 1 0 30116 1 0 30117 1 0 31118 1 1 32119 1 0 33120 1 6 34121 1 0 35122 1 0 36123 1 0 37124 1 0 38125 1 0 39126 1 0 40127 1 0 41128 1 0 42129 1 0 43130 1 1 44131 1 0 45132 1 0 45133 1 0 46134 1 0 46135 1 0 47136 1 0 47137 1 0 48138 1 0 48139 1 0 49140 1 0 49141 1 0 49142 1 0 50143 1 0 50144 1 0 54145 1 0 58146 1 0 60147 1 0 60148 1 0 61149 1 1 63150 1 1 65151 1 0 66152 1 0 68153 1 0 68154 1 0 72155 1 6 73156 1 0 74157 1 1 75158 1 0 M END