HMDB0293905 RDKit 3D CDP-DG(20:4(5Z,7E,11Z,14Z)-OH(9)/i-18:0) 156157 0 0 0 0 0 0 0 0999 V2000 0.5330 -8.2974 -5.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9935 -7.9565 -5.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2009 -6.4864 -5.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6438 -6.0942 -5.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8475 -4.6200 -4.9119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4601 -4.4314 -3.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5481 -3.6180 -3.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7014 -2.7151 -3.8213 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 -2.4727 -5.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7589 -2.6835 -6.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5471 -3.2274 -5.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6322 -2.1909 -6.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6041 -1.9262 -7.4749 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9603 -2.6915 -5.7342 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9031 -1.9735 -5.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6773 -0.5647 -4.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6247 0.1821 -4.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3874 1.6292 -4.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4512 1.8689 -2.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8014 1.5199 -2.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7359 1.6848 -0.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7836 0.6282 0.1792 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6240 2.8977 0.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5057 3.1413 1.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2032 2.9413 2.1026 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4830 1.6682 1.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1185 1.4276 0.5305 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2903 -0.0673 0.5058 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.6095 -0.8188 -0.7526 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8627 -0.9784 1.8171 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6399 0.1709 0.7161 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3095 -0.5606 -0.4559 P 0 0 0 0 0 5 0 0 0 0 0 0 1.5132 -1.1428 0.2572 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5059 -1.7260 -1.3425 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8536 0.6369 -1.5237 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1677 1.0029 -1.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6017 2.0729 -2.1646 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7945 3.1813 -2.1135 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5426 4.2992 -2.3268 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3818 5.2712 -1.2539 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0035 6.4819 -1.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 7.4113 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0683 7.1184 0.7806 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8977 8.0716 1.8436 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4623 5.9239 0.8250 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6252 5.0301 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0285 3.9018 -0.0956 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9968 3.9425 -2.4036 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4325 3.8911 -3.7487 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0111 2.5142 -1.9225 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8928 1.7317 -2.6693 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3155 3.0394 3.5393 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5999 4.0241 4.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9151 4.7909 3.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6816 4.0891 5.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5400 4.9407 6.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2546 4.3423 5.7932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0253 5.0452 6.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1994 4.4053 5.7045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2646 2.9237 5.8865 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4968 2.3638 5.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5682 0.8777 5.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6054 0.2860 6.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6062 -1.2445 6.5559 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7695 -1.8028 5.8205 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7460 -3.3295 5.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5173 -3.7809 5.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4258 -5.2883 4.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1152 -5.6176 4.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9421 -7.0857 3.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9513 -4.7945 2.8674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0864 -7.7601 -5.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -7.8987 -4.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3454 -9.3811 -5.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 -8.2299 -6.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5699 -8.5827 -4.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8838 -6.3807 -4.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 -5.8734 -5.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9055 -6.3083 -6.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2914 -6.7444 -4.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9925 -4.5292 -4.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5224 -3.9615 -5.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0289 -5.0661 -2.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4138 -3.6469 -1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6212 -3.0067 -3.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7024 -1.6705 -3.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6214 -1.9991 -5.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9155 -2.4503 -7.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6931 -3.6734 -4.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7414 -4.0636 -6.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3056 -1.2828 -5.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6841 -0.9284 -7.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1768 -3.7627 -5.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8544 -2.4504 -4.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7673 -0.0324 -5.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5469 -0.2662 -4.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4527 2.0178 -4.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2260 2.1810 -4.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6404 1.2752 -2.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2819 2.9657 -2.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0124 0.4729 -2.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5836 2.1750 -2.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2973 2.4734 1.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8436 4.2052 1.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5228 3.8111 1.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5182 1.6123 2.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0657 0.7865 2.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3355 -1.8108 1.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1821 -2.6265 -1.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2427 1.4102 -0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8679 0.1448 -1.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5601 1.6508 -3.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2024 4.8027 -3.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6081 6.6628 -2.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3618 8.3567 -0.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6321 8.7574 2.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0034 8.0527 2.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6515 4.6054 -1.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1590 3.2549 -3.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2604 2.4797 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3190 1.0358 -2.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6473 4.4767 6.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5848 3.0683 6.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5528 4.9329 7.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 5.9801 5.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2209 3.3039 6.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1501 4.2154 4.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 6.1163 6.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0201 4.8683 7.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0728 4.8590 6.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1601 4.6409 4.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3932 2.3715 5.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3056 2.6991 6.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5133 2.6630 4.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4083 2.8050 5.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6662 0.4873 4.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4804 0.5414 4.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4928 0.5766 7.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6887 0.5788 7.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6358 -1.5839 7.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6218 -1.5386 6.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8541 -1.3872 4.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6976 -1.5208 6.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6437 -3.6094 5.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 -3.6801 6.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5853 -3.4158 5.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5309 -3.3612 3.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2991 -5.6495 4.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3459 -5.7684 5.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2791 -5.3057 4.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 -7.5795 4.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 -7.5794 3.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3127 -7.2004 2.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6025 -3.7569 3.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9455 -4.6688 2.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2133 -5.2580 2.1977 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 1 0 12 14 1 0 14 15 2 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 69 71 1 0 50 37 1 0 46 40 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 3 78 1 0 4 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 15 94 1 0 16 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 20101 1 0 20102 1 0 24103 1 0 24104 1 0 25105 1 6 26106 1 0 26107 1 0 30108 1 0 34109 1 0 36110 1 0 36111 1 0 37112 1 6 39113 1 6 41114 1 0 42115 1 0 44116 1 0 44117 1 0 48118 1 1 49119 1 0 50120 1 1 51121 1 0 55122 1 0 55123 1 0 56124 1 0 56125 1 0 57126 1 0 57127 1 0 58128 1 0 58129 1 0 59130 1 0 59131 1 0 60132 1 0 60133 1 0 61134 1 0 61135 1 0 62136 1 0 62137 1 0 63138 1 0 63139 1 0 64140 1 0 64141 1 0 65142 1 0 65143 1 0 66144 1 0 66145 1 0 67146 1 0 67147 1 0 68148 1 0 68149 1 0 69150 1 0 70151 1 0 70152 1 0 70153 1 0 71154 1 0 71155 1 0 71156 1 0 M END