HMDB0115994 RDKit 3D CDP-DG(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z)) 157158 0 0 0 0 0 0 0 0999 V2000 2.9894 7.2172 -0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6234 6.6128 -1.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4145 7.2444 -2.4692 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1396 6.6790 -3.8292 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6655 6.8863 -4.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4196 6.2951 -5.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 5.3212 -5.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2593 4.7365 -4.5593 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1635 3.3397 -4.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6266 2.3241 -4.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0793 2.4616 -4.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3147 1.7279 -6.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0969 0.7186 -6.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8886 0.1038 -5.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2894 0.1324 -5.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2743 0.6750 -4.9057 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2403 1.4063 -3.6173 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6551 2.8439 -3.8576 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9208 3.6450 -2.6564 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9535 3.8084 -1.6022 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1506 3.1364 -0.5148 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8384 4.6095 -1.6039 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9532 4.7946 -0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2090 3.7096 0.0563 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9579 3.1903 -0.6694 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 2.5106 0.3508 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1758 1.8329 -0.0854 P 0 0 0 0 0 5 0 0 0 0 0 0 0.3804 1.9142 -1.5758 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 0.1711 0.2874 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5041 2.5726 0.6514 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 2.3460 2.3191 P 0 0 0 0 0 5 0 0 0 0 0 0 2.9659 2.8463 2.7304 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3904 3.2754 3.1106 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3782 0.7511 2.7836 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1566 0.5450 3.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0819 -0.9076 3.7941 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0703 -1.2697 4.7028 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7169 -2.5929 4.9412 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5665 -3.3209 5.8158 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2271 -2.6400 6.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0601 -3.2881 7.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1844 -4.6671 7.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0331 -5.3895 8.3820 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4952 -5.3043 6.5214 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6905 -4.6579 5.6759 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -5.2119 4.7498 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7163 -2.5017 5.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4618 -3.6245 4.9986 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1778 -1.3394 4.4494 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6600 -0.2881 5.2263 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9299 2.6235 0.5661 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9179 2.2708 1.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2029 3.0153 2.6527 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6468 1.1200 2.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9727 -0.1869 2.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1019 -0.4125 0.5603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3523 -1.6882 0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6169 -1.9482 -1.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9036 -3.1265 -1.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3783 -2.9592 -1.8834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0251 -1.8290 -2.7803 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4399 -1.6135 -2.9491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0513 -2.8497 -3.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0612 -3.4818 -2.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7603 -3.0435 -1.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1982 -2.7749 -2.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1481 -3.4199 -1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0317 -4.4561 -0.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8126 -3.9552 0.8121 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7326 -4.9308 1.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3579 -5.1954 2.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 -3.9276 2.9755 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5589 6.5221 0.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4849 8.1788 0.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0752 7.3260 0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5382 6.8768 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7273 5.5292 -1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 8.3630 -2.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5100 7.0832 -2.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2854 5.5739 -3.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 7.1241 -4.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0987 6.5204 -3.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5662 7.9991 -4.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9835 6.6993 -6.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3757 4.8909 -6.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3171 4.8760 -4.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1979 5.2921 -3.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2539 3.1472 -4.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2759 1.2806 -4.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4742 3.4668 -4.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5893 1.9451 -3.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7874 2.0976 -7.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1921 0.2420 -7.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5870 -0.9941 -4.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7728 0.5627 -4.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5059 -0.3926 -6.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3118 0.6111 -5.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0028 0.9634 -2.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2782 1.3966 -3.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5918 2.7965 -4.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8888 3.3628 -4.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1993 4.6984 -3.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9197 3.2582 -2.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2609 5.6552 -0.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5660 5.3637 0.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7055 4.1978 1.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 2.5230 -1.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3943 4.0533 -1.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4311 -0.2934 -0.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4756 2.8538 3.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1485 1.1655 4.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6572 0.8660 2.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -1.5716 2.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7238 -3.0955 3.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1269 -1.5473 6.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6218 -2.8129 8.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1074 -6.4206 8.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5822 -4.9124 9.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9311 -2.2214 6.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 -3.7631 4.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -1.7126 3.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7042 -0.5960 6.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5885 1.1617 3.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6970 1.1246 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4623 -1.0050 2.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8996 -0.1031 2.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7374 0.4004 -0.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1596 -0.6022 0.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7862 -2.5007 0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2811 -1.5883 0.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4041 -1.0046 -1.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7149 -2.1021 -1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2133 -3.2865 -2.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1097 -4.0235 -1.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9853 -3.9066 -2.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9758 -2.8049 -0.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4683 -0.8579 -2.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4966 -2.0091 -3.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8745 -1.2591 -2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -0.7780 -3.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6408 -3.2861 -4.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4404 -4.3828 -3.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6343 -3.7776 -0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3567 -2.1004 -1.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4480 -2.0366 -2.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1909 -3.1854 -1.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6069 -5.3422 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 -4.7959 -0.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4551 -2.9429 1.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 -3.9189 0.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1390 -5.9095 1.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3690 -4.5661 2.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4504 -5.9168 3.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6999 -5.6573 1.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6326 -4.0286 2.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9225 -3.8444 4.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1169 -3.0100 2.5231 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 2 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 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 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 2 0 41 42 1 0 42 43 1 0 42 44 2 0 44 45 1 0 45 46 2 0 38 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 24 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 54 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 2 0 64 65 1 0 65 66 1 0 66 67 2 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 49 36 1 0 45 39 1 0 1 73 1 0 1 74 1 0 1 75 1 0 2 76 1 0 2 77 1 0 3 78 1 0 3 79 1 0 4 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 23104 1 0 23105 1 0 24106 1 1 25107 1 0 25108 1 0 29109 1 0 33110 1 0 35111 1 0 35112 1 0 36113 1 6 38114 1 6 40115 1 0 41116 1 0 43117 1 0 43118 1 0 47119 1 0 48120 1 0 49121 1 6 50122 1 0 54123 1 0 54124 1 0 55125 1 0 55126 1 0 56127 1 0 56128 1 0 57129 1 0 57130 1 0 58131 1 0 58132 1 0 59133 1 0 59134 1 0 60135 1 0 60136 1 0 61137 1 0 61138 1 0 62139 1 0 62140 1 0 63141 1 0 64142 1 0 65143 1 0 65144 1 0 66145 1 0 67146 1 0 68147 1 0 68148 1 0 69149 1 0 69150 1 0 70151 1 0 70152 1 0 71153 1 0 71154 1 0 72155 1 0 72156 1 0 72157 1 0 M END