HMDB0294360 RDKit 3D CDP-DG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/i-22:0) 166167 0 0 0 0 0 0 0 0999 V2000 -2.6126 10.7037 -1.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0738 9.8458 -2.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6405 10.0033 -2.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 8.9382 -2.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4388 7.6629 -2.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5435 6.7395 -3.0236 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2048 7.3149 -0.8938 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0648 6.8752 -0.6395 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2602 6.5389 -0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7335 5.2448 -0.8585 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8892 4.8028 -0.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0186 5.2090 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7282 4.3934 0.9736 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7136 3.1944 1.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8052 2.1525 0.9701 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2385 0.7735 0.7154 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3970 0.3096 -0.5615 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1744 1.2727 -1.6218 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0903 1.3221 -2.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8945 0.1570 -3.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7398 0.5126 -4.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2024 1.3408 -5.3652 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4826 0.2691 -4.4185 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5212 0.7159 -5.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8511 0.1164 -4.9915 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3795 0.6886 -3.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5754 0.0647 -3.3605 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2148 0.5351 -1.8837 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.7017 0.7377 -2.0466 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5692 2.0257 -1.3424 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9938 -0.6160 -0.6907 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2095 -1.7790 -0.6156 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.2358 -1.3750 0.3920 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9620 -1.9958 -2.1539 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4565 -3.2393 -0.2676 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8102 -3.8438 0.9091 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0337 -5.1729 1.0098 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6768 -4.9247 0.9472 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1129 -6.1425 1.2703 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2874 -6.0309 1.6027 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0935 -7.1368 1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4287 -7.1243 1.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0471 -6.1182 2.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4198 -6.2721 2.3289 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2544 -5.0954 2.6242 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -5.3306 2.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -4.2517 2.8327 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8864 -6.5768 2.5020 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0600 -7.9401 2.5196 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1865 -5.8117 2.3434 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2797 -6.6895 2.3079 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6185 -1.2565 -4.9047 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0843 -2.2694 -5.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 -2.1029 -6.6451 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6139 -3.6457 -5.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1858 -4.1031 -3.9774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8207 -3.1429 -2.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6747 -3.0573 -2.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9894 -1.9269 -1.6961 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4492 -1.8866 -0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9414 -0.5158 0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4472 -0.3098 1.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 0.9963 2.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6329 1.3611 3.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0968 0.5289 4.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8554 -0.8777 4.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4067 -1.5697 4.9991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6085 -1.5010 4.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4788 -0.3036 4.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1214 -0.1000 5.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9796 1.0970 5.6509 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2594 2.4214 5.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3028 3.4758 5.6725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7410 4.8518 5.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3743 3.3485 4.5868 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3827 11.4244 -1.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 10.0635 -0.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8722 11.2476 -0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3939 8.7997 -2.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6695 10.0425 -3.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2072 10.9462 -2.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2334 9.1317 -2.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3568 7.3960 -2.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 7.1535 -3.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9842 6.5780 -0.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4962 8.2938 -0.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2304 7.8317 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9717 7.1887 0.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9988 4.6204 -1.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9516 3.7557 -1.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7139 5.8310 -0.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6543 6.1714 0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5454 5.0107 1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4541 2.8564 2.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1015 2.0528 1.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0131 2.4703 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4526 0.1356 1.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6600 -0.7365 -0.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1553 0.9436 -2.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6314 2.2782 -1.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3005 2.2150 -3.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0916 1.5760 -2.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7914 0.0266 -4.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6961 -0.7420 -2.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4247 1.8246 -5.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7441 0.4141 -6.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4985 0.4299 -5.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6570 1.7760 -3.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6835 0.7579 -2.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 1.8710 -0.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5157 -2.8333 -2.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6848 -3.2725 1.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8788 -4.1128 0.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 -5.8457 0.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2812 -6.8626 0.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5986 -7.8385 0.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1083 -7.8877 0.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1391 -6.3412 1.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8536 -6.3366 3.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3369 -6.2530 3.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8684 -8.3675 1.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3145 -5.0590 3.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5943 -6.8094 1.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0072 -4.3809 -6.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4628 -3.6984 -5.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2473 -4.2990 -3.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6608 -5.0429 -3.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2247 -3.6587 -1.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3188 -2.2040 -2.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1973 -3.0116 -3.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0207 -4.0068 -2.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7423 -0.9305 -2.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1336 -1.9497 -1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9003 -2.6878 0.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6381 -1.8828 -0.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0072 -0.5011 0.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5739 0.3129 -0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -0.1027 1.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5778 -1.1813 2.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0786 0.9564 1.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5833 1.7756 1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2474 2.3702 3.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3929 1.7824 3.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2234 0.7703 4.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 1.0573 5.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5959 -1.5295 4.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -1.0998 5.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7459 -1.3316 6.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1721 -2.7129 5.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3028 -2.3344 4.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4826 -1.8669 3.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3723 -0.5912 3.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0953 0.5749 3.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4412 -0.2281 6.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8453 -0.9965 5.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9148 1.1148 5.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2934 1.1784 6.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 2.4732 4.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4061 2.5869 6.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8255 3.3062 6.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7503 4.8816 6.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5799 5.2712 4.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3830 5.5584 6.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1858 2.7252 4.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9452 3.0686 3.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8170 4.3902 4.4311 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 2 0 32 34 1 0 32 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 2 0 42 43 1 0 43 44 1 0 43 45 2 0 45 46 1 0 46 47 2 0 39 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 25 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 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 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 73 74 1 0 73 75 1 0 50 37 1 0 46 40 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 4 82 1 0 5 83 1 0 6 84 1 0 7 85 1 0 7 86 1 0 8 87 1 0 9 88 1 0 10 89 1 0 11 90 1 0 12 91 1 0 12 92 1 0 13 93 1 0 14 94 1 0 15 95 1 0 15 96 1 0 16 97 1 0 17 98 1 0 18 99 1 0 18100 1 0 19101 1 0 19102 1 0 20103 1 0 20104 1 0 24105 1 0 24106 1 0 25107 1 6 26108 1 0 26109 1 0 30110 1 0 34111 1 0 36112 1 0 36113 1 0 37114 1 6 39115 1 6 41116 1 0 42117 1 0 44118 1 0 44119 1 0 48120 1 1 49121 1 0 50122 1 1 51123 1 0 55124 1 0 55125 1 0 56126 1 0 56127 1 0 57128 1 0 57129 1 0 58130 1 0 58131 1 0 59132 1 0 59133 1 0 60134 1 0 60135 1 0 61136 1 0 61137 1 0 62138 1 0 62139 1 0 63140 1 0 63141 1 0 64142 1 0 64143 1 0 65144 1 0 65145 1 0 66146 1 0 66147 1 0 67148 1 0 67149 1 0 68150 1 0 68151 1 0 69152 1 0 69153 1 0 70154 1 0 70155 1 0 71156 1 0 71157 1 0 72158 1 0 72159 1 0 73160 1 0 74161 1 0 74162 1 0 74163 1 0 75164 1 0 75165 1 0 75166 1 0 M END