HMDB0294101 RDKit 3D CDP-DG(20:4(5Z,8Z,11Z,14Z)-OH(18R)/i-20:0) 162163 0 0 0 0 0 0 0 0999 V2000 -1.6850 4.3059 -8.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5819 5.4068 -7.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3053 5.3251 -6.3469 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3727 6.4125 -5.4402 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9119 5.5351 -7.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 5.4144 -6.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9923 6.4583 -5.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9513 6.2467 -3.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0318 5.0387 -3.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2094 3.7397 -3.7229 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 2.7592 -3.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0657 2.8667 -2.8722 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1418 1.8234 -1.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7316 0.8928 -1.7724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8783 0.6133 -2.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4311 1.2679 -3.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6413 1.8552 -3.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5117 1.9116 -2.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9068 1.3242 -2.5998 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5313 1.4973 -1.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7764 0.6713 -0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3889 -0.4812 -0.6349 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4385 0.9918 1.0657 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7228 0.0856 1.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1919 0.7299 3.1620 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3032 1.0944 4.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0382 -0.0859 4.2919 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3479 0.2192 5.2950 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.8921 0.7718 6.6321 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3854 1.2944 4.5401 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2132 -1.1971 5.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8303 -2.4105 4.4904 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.3660 -3.7642 4.9738 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6977 -2.0343 3.0772 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1852 -2.4907 4.2319 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6644 -3.7741 4.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1482 -3.7578 4.2417 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6552 -2.7935 5.1269 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3950 -3.2092 5.4773 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9099 -2.4892 6.6322 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 -1.8164 6.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2385 -1.1123 7.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9207 -1.1059 8.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3917 -0.3799 9.8718 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0568 -1.7973 8.8260 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 -2.4933 7.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6701 -3.1209 7.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5319 -4.6933 5.6866 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3243 -5.3573 5.4241 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5885 -5.0687 4.6690 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9482 -5.7693 3.6363 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2953 1.7610 2.7448 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9279 1.4260 2.7039 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 0.2641 3.0623 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8614 2.3727 2.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4151 1.6066 2.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0951 1.0625 3.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 0.0987 2.8537 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2143 0.5972 1.8946 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 -0.5091 1.5524 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0563 -0.9530 2.7091 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9026 -2.1397 2.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7401 -2.0636 1.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7586 -1.0312 0.9875 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4387 -1.2601 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4804 -1.1891 -1.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2573 -1.4319 -2.8134 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3411 -1.3474 -4.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2443 -2.3129 -4.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3554 -2.3666 -5.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5969 -1.1674 -5.6056 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6734 -1.5494 -6.7985 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5051 -0.0518 -6.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7705 4.3225 -8.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8858 3.3276 -7.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5566 4.5256 -8.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4619 5.3121 -6.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6883 6.3916 -7.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3182 4.3693 -5.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 7.2008 -5.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9254 6.4753 -7.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0205 4.7047 -7.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0424 5.5704 -6.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0466 4.3716 -5.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9056 7.5386 -5.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 7.1996 -3.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2834 5.1109 -2.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0078 5.2211 -2.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1483 3.4490 -4.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5295 1.7603 -4.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6784 2.8197 -3.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0872 3.8316 -2.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0189 1.8922 -1.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5303 0.1573 -0.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7222 0.3410 -1.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 -0.4949 -2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9644 1.3189 -4.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0236 2.3583 -4.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7514 3.0202 -2.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1531 1.5575 -1.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9047 0.2775 -2.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5308 1.9155 -3.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5399 2.5550 -0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5930 1.1589 -1.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7742 -0.1942 1.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2293 -0.8359 2.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5986 -0.1230 3.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9651 1.4451 5.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9959 1.8259 3.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3377 1.2577 3.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4863 -1.1634 2.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1583 -4.5239 3.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9163 -4.0449 5.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9666 -3.5347 3.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6789 -3.1010 4.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2118 -1.8119 5.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6896 -0.5551 7.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3725 0.3162 9.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7897 -0.5590 10.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9068 -4.9127 6.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8051 -5.4001 6.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3455 -5.7132 5.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1533 -5.2424 3.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7226 3.1616 3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2318 2.8608 1.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2614 0.8571 1.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 2.3698 1.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6164 1.9033 3.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3706 0.6217 3.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7809 -0.8486 2.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7210 -0.1899 3.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8193 1.4364 2.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7061 0.9713 0.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8988 -0.1071 0.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5979 -1.3641 1.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3689 -1.3011 3.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6356 -0.1154 3.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2154 -3.0244 2.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5646 -2.3533 3.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0131 -1.9643 0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2229 -3.0650 0.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2800 -0.0240 0.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5703 -0.9993 1.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8822 -2.2988 -0.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3016 -0.5797 -0.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8692 -0.2904 -1.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7653 -2.0691 -1.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0207 -0.6382 -2.9472 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7463 -2.4005 -2.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9386 -0.3086 -4.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0095 -1.5159 -4.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6811 -3.3626 -3.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6124 -2.0945 -3.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9519 -2.7185 -6.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6243 -3.2499 -5.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9800 -0.7607 -4.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1582 -2.4916 -6.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2581 -1.5541 -7.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9166 -0.7416 -6.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0996 0.2823 -7.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5024 0.7891 -5.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4899 -0.4602 -6.3152 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 3 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 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 71 73 1 0 50 37 1 0 46 40 1 0 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 79 1 1 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 0 6 84 1 0 7 85 1 0 8 86 1 0 9 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 1 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 72157 1 0 72158 1 0 72159 1 0 73160 1 0 73161 1 0 73162 1 0 M END