HMDB0292422 RDKit 3D CDP-DG(20:3(6,8,11)-OH(5)/22:3(10Z,13Z,16Z)) 167168 0 0 0 0 0 0 0 0999 V2000 7.8046 3.9134 0.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1050 2.8657 -0.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6096 1.4876 0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9133 0.3646 -0.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2777 -0.9771 -0.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5332 -1.1671 1.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5531 -0.0775 2.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9416 -0.0373 3.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4423 -1.0441 4.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7574 -1.5327 5.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5183 -0.9090 5.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7035 -0.0524 5.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2994 1.1809 5.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1236 1.5570 6.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9315 0.7632 5.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0859 0.5028 7.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2611 -0.0919 6.7412 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 1.0566 6.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1355 0.5787 5.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8849 1.8079 4.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8044 1.7211 3.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2022 1.2743 2.3162 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0512 1.9551 1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4834 2.4194 3.1135 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1992 2.4057 0.9717 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0304 3.1430 1.2523 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1042 4.4169 0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4846 4.3108 -0.8247 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0935 3.7951 -1.9351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0388 3.1549 -1.9572 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8622 3.8566 -3.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0329 3.5119 -4.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6208 3.3033 -5.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5231 2.0085 -5.7538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6135 2.1132 -4.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5506 1.0000 -5.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 0.2865 -4.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0423 -0.5764 -4.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9357 -0.4930 -2.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8076 -1.3057 -1.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8807 -1.9109 -2.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0840 -1.4166 -2.4929 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3100 -1.8064 -3.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7959 -0.6590 -4.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9473 0.6635 -3.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6379 1.5846 -4.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8641 2.9762 -3.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6135 3.8437 -3.9075 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0417 4.0309 -5.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8210 4.9963 -5.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1895 2.2598 0.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0983 0.9707 1.4977 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5938 0.2137 1.0978 P 0 0 0 0 0 5 0 0 0 0 0 0 3.6837 1.1884 1.5601 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7068 0.0709 -0.5798 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7777 -1.2343 1.8806 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -1.9779 2.3515 P 0 0 0 0 0 5 0 0 0 0 0 0 0.1421 -1.4873 1.6466 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1442 -1.7149 4.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4995 -3.7024 2.2202 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7134 -3.9953 1.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2616 -5.3810 1.0760 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7065 -5.4886 -0.0556 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2617 -6.7157 0.4055 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4817 -6.9118 -0.2781 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2042 -8.0208 -0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5086 -8.0956 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0476 -6.9779 -1.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3799 -6.8553 -1.8600 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2747 -5.8792 -1.3965 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0296 -5.7984 -0.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3633 -4.7583 -0.9243 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0571 -7.5806 0.2997 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0786 -8.7574 1.0167 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0171 -6.6168 0.9512 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2204 -7.1407 2.2469 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5610 4.9163 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8766 3.7623 0.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2947 3.8558 1.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1846 3.0416 -1.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0258 2.9154 -0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9238 1.4243 1.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6970 1.5220 -0.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8177 0.5368 -0.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2759 0.3283 -1.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3551 -1.0364 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9146 -1.7511 -0.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5002 -1.4785 1.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0745 -2.0956 1.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1170 0.8991 1.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9191 1.0415 3.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5310 -2.0700 3.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5133 -0.8392 4.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1254 -2.2055 6.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1729 -1.4239 6.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8682 0.3419 4.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6465 -0.5726 4.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1513 1.8493 6.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9845 2.5505 6.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3054 -0.3742 5.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3961 0.9536 5.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5822 -0.2083 7.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9513 1.4627 7.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1559 -0.9376 6.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8244 -0.3159 7.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4055 1.7559 6.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3011 1.6269 5.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 0.0046 4.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7047 -0.1453 5.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6207 1.9568 5.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2931 2.7043 4.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6741 1.0669 3.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2508 2.6984 3.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0022 0.1342 2.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0322 1.2548 1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0762 3.3698 2.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7937 5.1300 1.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9051 4.9669 0.4772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7907 3.3250 -3.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1736 4.9611 -3.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7707 4.3542 -4.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6181 2.6102 -4.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2661 4.0523 -6.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1797 3.0622 -6.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7803 1.8449 -6.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4595 2.2914 -5.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8135 1.4943 -3.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 -0.3028 -5.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7991 -1.2317 -4.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1743 0.1270 -2.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1906 -2.1283 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2508 -0.5976 -1.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6652 -2.6961 -3.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2245 -0.6240 -1.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0947 -2.1592 -2.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1521 -2.6549 -3.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7642 -0.9216 -4.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0199 -0.5317 -4.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5032 0.6149 -2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9670 1.1393 -3.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5852 1.0773 -4.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9728 1.5808 -5.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6192 3.4455 -4.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3034 2.9927 -2.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7994 3.3462 -3.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8316 4.8229 -3.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7893 4.4936 -5.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6932 3.1028 -5.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2716 5.0359 -6.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2724 6.0232 -5.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2106 4.7168 -4.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4361 2.3059 -0.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0166 2.7406 1.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8080 0.9461 -1.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4239 -2.5289 4.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3786 -3.7352 0.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1204 -3.2712 1.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -5.4743 1.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4610 -6.5436 1.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7696 -8.9275 0.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0947 -8.9788 -0.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0444 -7.5898 -1.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7674 -6.2178 -2.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3232 -7.7089 -0.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5986 -8.6632 1.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9394 -6.6363 0.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9163 -6.6419 2.7425 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 2 0 8 9 1 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 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 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 26 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 2 0 57 59 1 0 57 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 2 0 67 68 1 0 68 69 1 0 68 70 2 0 70 71 1 0 71 72 2 0 64 73 1 0 73 74 1 0 73 75 1 0 75 76 1 0 75 62 1 0 71 65 1 0 1 77 1 0 1 78 1 0 1 79 1 0 2 80 1 0 2 81 1 0 3 82 1 0 3 83 1 0 4 84 1 0 4 85 1 0 5 86 1 0 5 87 1 0 6 88 1 0 6 89 1 0 7 90 1 0 8 91 1 0 9 92 1 0 9 93 1 0 10 94 1 0 11 95 1 0 12 96 1 0 12 97 1 0 13 98 1 0 14 99 1 0 15100 1 0 15101 1 0 16102 1 0 16103 1 0 17104 1 0 17105 1 0 18106 1 0 18107 1 0 19108 1 0 19109 1 0 20110 1 0 20111 1 0 21112 1 0 21113 1 0 22114 1 0 22115 1 0 26116 1 1 27117 1 0 27118 1 0 31119 1 0 31120 1 0 32121 1 0 32122 1 0 33123 1 0 33124 1 0 34125 1 0 35126 1 0 36127 1 0 37128 1 0 38129 1 0 39130 1 0 40131 1 0 40132 1 0 41133 1 0 42134 1 0 43135 1 0 43136 1 0 44137 1 0 44138 1 0 45139 1 0 45140 1 0 46141 1 0 46142 1 0 47143 1 0 47144 1 0 48145 1 0 48146 1 0 49147 1 0 49148 1 0 50149 1 0 50150 1 0 50151 1 0 51152 1 0 51153 1 0 55154 1 0 59155 1 0 61156 1 0 61157 1 0 62158 1 1 64159 1 1 66160 1 0 67161 1 0 69162 1 0 69163 1 0 73164 1 6 74165 1 0 75166 1 6 76167 1 0 M END