HMDB0116000 RDKit 3D CDP-DG(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 157158 0 0 0 0 0 0 0 0999 V2000 0.7956 -5.0256 -6.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2847 -4.3063 -4.8223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -3.3005 -4.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 -3.3024 -3.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7482 -4.2755 -2.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 -3.4715 -1.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1811 -3.6631 -0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7761 -4.7330 -0.8891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9048 -5.6448 0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 -5.9630 0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3274 -5.5643 0.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8182 -4.6879 -0.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4347 -3.5467 -0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6792 -3.0520 1.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1343 -3.0336 1.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7987 -1.9754 1.7776 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3460 -0.5971 2.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0296 0.3336 1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8533 1.7616 1.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4720 2.3961 1.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6782 3.8812 1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5496 4.7648 1.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8996 6.0076 1.6949 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2096 4.6425 1.1618 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 5.8242 1.2784 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6273 6.1654 0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5376 5.3079 -0.2191 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2174 5.5240 -1.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1586 6.4718 -2.1272 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4036 4.7434 -1.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8392 5.0399 -3.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1744 4.3047 -3.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1810 4.8575 -2.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8388 4.1456 -1.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7483 2.6843 -1.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3153 2.5046 -0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0541 1.9822 0.8704 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4048 1.4677 0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2527 1.5270 -0.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7866 0.5166 -0.9362 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7651 -0.9102 -0.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0747 -1.5927 0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0699 -2.4462 0.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5134 -2.8135 -1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6543 -4.3247 -1.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1227 -4.7297 -1.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2089 -6.2247 -1.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4224 -6.9965 -0.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4269 5.6252 2.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6133 6.7404 2.6135 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4144 6.4304 3.9366 P 0 0 0 0 0 5 0 0 0 0 0 0 0.8812 7.8119 4.4144 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7927 5.5991 3.4811 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 5.7372 5.1799 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1105 4.1923 5.5735 P 0 0 0 0 0 5 0 0 0 0 0 0 1.5033 4.0625 4.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 4.0140 7.2377 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8258 2.9862 4.8877 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2512 1.7621 4.8357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0814 0.6773 4.2200 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3879 1.0166 2.9109 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5999 -0.1405 2.1870 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3297 0.1148 0.8094 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7756 -0.5894 -0.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4872 -0.2986 -1.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6857 0.7875 -1.8249 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3357 1.1611 -3.1500 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 1.4798 -0.7701 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5446 1.1755 0.5063 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0728 1.9030 1.4094 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7792 -1.2272 2.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5597 -2.3144 3.1426 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2866 -0.5837 4.0705 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0740 -0.2011 3.9531 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1071 -5.2812 -6.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -5.9122 -5.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4198 -4.3423 -6.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 -3.7587 -5.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1291 -5.0599 -4.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5539 -2.4874 -5.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6708 -2.5084 -3.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8406 -4.6117 -1.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1942 -5.1437 -2.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9951 -2.6599 -0.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -3.0255 0.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7091 -4.2390 -1.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4349 -5.3082 -1.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0526 -6.1042 0.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8573 -6.6945 1.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8563 -5.2971 1.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8875 -6.6200 0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7551 -4.9364 -1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8006 -2.9084 -0.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1682 -3.5439 2.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3466 -1.9567 1.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6556 -4.0103 1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9096 -2.1053 1.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2799 -0.4333 2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7793 -0.2975 3.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7439 0.0212 -0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1285 0.0769 1.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3113 2.0381 2.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4683 2.3596 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8403 1.9701 1.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0803 2.2686 0.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4178 4.2177 0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2830 3.9880 2.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0330 6.6812 1.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2887 6.2729 -0.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1592 7.1879 0.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2609 5.0136 -1.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2021 3.6623 -1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9509 6.1269 -3.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0633 4.7033 -3.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4737 4.6403 -4.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9943 3.2565 -3.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3731 5.9461 -2.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5762 4.6919 -1.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8556 2.3174 -2.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6361 2.1910 -1.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2626 2.8577 0.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 1.9161 1.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0127 1.9515 1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3604 0.4034 1.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5179 2.5868 -0.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4220 0.8753 -1.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8894 -1.2956 -0.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4881 -1.4086 -1.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4254 -1.4599 1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6148 -2.9146 1.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8045 -2.2205 -1.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3782 -2.6744 -1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2005 -4.5891 -2.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1302 -4.9127 -0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7091 -4.1712 -2.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4599 -4.5394 -0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2568 -6.5937 -1.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7520 -6.4442 -2.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3304 -6.9890 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6462 -6.6830 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7359 -8.0629 -0.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0531 5.4217 3.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7884 4.7468 2.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6036 5.0357 2.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4464 4.4188 7.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7131 1.8393 4.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0191 1.4186 5.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0233 0.4843 4.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6878 -0.4094 2.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3925 -1.4310 -0.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8656 -0.8830 -2.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1072 1.1994 -3.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6216 1.3947 -3.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1334 -1.4854 2.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5365 -3.0591 2.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3482 -1.2656 4.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3447 -0.4672 3.0407 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 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 2 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 2 0 22 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 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 25 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 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 2 0 65 66 1 0 66 67 1 0 66 68 2 0 68 69 1 0 69 70 2 0 62 71 1 0 71 72 1 0 71 73 1 0 73 74 1 0 73 60 1 0 69 63 1 0 1 75 1 0 1 76 1 0 1 77 1 0 2 78 1 0 2 79 1 0 3 80 1 0 4 81 1 0 5 82 1 0 5 83 1 0 6 84 1 0 7 85 1 0 8 86 1 0 8 87 1 0 9 88 1 0 10 89 1 0 11 90 1 0 11 91 1 0 12 92 1 0 13 93 1 0 14 94 1 0 14 95 1 0 15 96 1 0 16 97 1 0 17 98 1 0 17 99 1 0 18100 1 0 18101 1 0 19102 1 0 19103 1 0 20104 1 0 20105 1 0 21106 1 0 21107 1 0 25108 1 1 26109 1 0 26110 1 0 30111 1 0 30112 1 0 31113 1 0 31114 1 0 32115 1 0 32116 1 0 33117 1 0 34118 1 0 35119 1 0 35120 1 0 36121 1 0 37122 1 0 38123 1 0 38124 1 0 39125 1 0 40126 1 0 41127 1 0 41128 1 0 42129 1 0 43130 1 0 44131 1 0 44132 1 0 45133 1 0 45134 1 0 46135 1 0 46136 1 0 47137 1 0 47138 1 0 48139 1 0 48140 1 0 48141 1 0 49142 1 0 49143 1 0 53144 1 0 57145 1 0 59146 1 0 59147 1 0 60148 1 1 62149 1 6 64150 1 0 65151 1 0 67152 1 0 67153 1 0 71154 1 0 72155 1 0 73156 1 1 74157 1 0 M END