HMDB0291790 RDKit 3D CDP-DG(18:3(9,11,15)-OH(13)/20:1(11Z)) 156157 0 0 0 0 0 0 0 0999 V2000 -3.7720 -0.8627 6.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2899 -0.5987 6.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8223 0.3594 5.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9184 0.0600 4.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 1.0263 3.4237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7526 0.5009 2.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1148 -0.7169 1.8025 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3057 1.5063 1.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4465 1.3177 -0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0105 2.3365 -1.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1393 2.1325 -2.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 3.1277 -3.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6211 3.7948 -4.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 3.0898 -5.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4689 2.1241 -4.9764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2363 1.5197 -6.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6385 0.6934 -7.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0674 -0.6363 -6.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -0.8447 -6.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2606 0.0623 -5.5122 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4607 -2.1517 -5.7346 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 -2.4216 -4.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3682 -2.0190 -3.4587 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6297 -2.0572 -2.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6555 -1.3216 -3.2202 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0358 -1.4237 -2.2666 P 0 0 0 0 0 5 0 0 0 0 0 0 4.1100 -2.7267 -1.5032 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0413 -0.1269 -1.1819 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4418 -1.3128 -3.1988 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0185 -2.8276 -3.6768 P 0 0 0 0 0 5 0 0 0 0 0 0 7.4291 -2.6461 -4.1718 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0707 -3.4916 -4.9068 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0161 -3.8086 -2.3060 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3089 -4.2295 -2.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3900 -5.1174 -0.8355 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9531 -4.4654 0.3021 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6756 -5.4359 1.2296 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5262 -5.0760 2.0617 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8888 -3.8982 1.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8111 -3.5834 2.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3832 -4.4567 3.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2783 -4.1461 4.4526 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0665 -5.6143 3.7660 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1221 -5.9354 3.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6860 -7.0412 3.2056 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3698 -6.7223 0.5230 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4462 -7.6003 0.7116 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4246 -6.2795 -0.9327 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9049 -7.2938 -1.7535 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6873 -2.7575 -2.9134 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9186 -2.2039 -2.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0615 -0.9966 -2.9282 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 -2.9596 -2.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3251 -2.2248 -1.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2251 -1.0492 -1.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5756 -0.3406 -0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3784 0.8543 0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6715 1.5780 0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6933 2.7180 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8785 3.9063 0.9223 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3971 3.8806 0.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8722 3.3925 2.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1329 4.1301 3.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 5.4994 2.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1652 5.6566 2.8901 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5726 5.1911 4.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9233 5.3531 4.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6082 4.5718 3.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1121 4.7699 3.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7926 3.9701 2.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2873 4.1546 2.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1652 -1.0605 7.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0325 -1.7472 5.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3415 0.0362 6.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7528 -1.5558 6.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0898 -0.1803 7.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2297 1.3623 5.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4852 -0.9323 4.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0122 1.9674 3.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6349 1.1603 3.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8432 0.3210 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4772 -1.4321 2.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1399 2.4046 1.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9085 0.3879 -0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4566 3.2291 -0.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5668 1.2064 -2.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8595 3.9813 -2.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1743 2.7247 -4.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0191 4.5514 -5.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2916 4.5407 -3.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0076 3.8497 -6.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7107 2.5998 -6.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2783 2.7144 -4.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0824 1.3456 -4.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9095 2.3266 -6.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0443 0.8773 -5.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2843 0.6690 -8.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7529 1.3268 -7.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9637 -1.2797 -6.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9133 -1.1752 -7.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8771 -3.4860 -5.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 -1.8398 -5.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0335 -0.9653 -3.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4796 -1.7203 -1.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 -3.1444 -2.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9234 0.3135 -1.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8382 -2.7575 -5.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7580 -4.7765 -2.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9973 -3.3659 -1.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4038 -5.5240 -0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5341 -5.5031 1.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2627 -3.2531 1.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2862 -2.6536 2.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2354 -3.2510 4.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4771 -4.8049 4.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4123 -7.1720 0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2383 -7.3349 0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -5.9517 -1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9485 -6.9432 -2.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7131 -3.3415 -1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1711 -3.8965 -2.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7043 -1.9280 -2.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0746 -2.9258 -1.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5319 -0.3095 -1.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9420 -1.4229 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7491 0.1147 -1.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3749 -1.0022 -0.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1273 0.3961 1.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5519 1.4016 -0.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9589 1.9715 -0.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5196 0.8525 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5570 2.2754 2.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7912 3.0898 1.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2891 4.7831 1.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1172 4.3083 -0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8817 3.4291 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0952 4.9917 0.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1378 2.3568 2.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8063 3.6259 3.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0752 6.0669 2.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0088 6.0757 3.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8793 6.7135 2.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7451 5.0778 2.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9582 5.9056 4.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8413 4.1729 4.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 5.0898 5.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2027 6.4298 4.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4206 3.4843 3.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2782 4.9031 2.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 5.8314 2.9997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 4.4099 4.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4319 4.2596 1.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5735 2.8875 2.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7799 3.5301 2.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7201 3.8148 1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5702 5.2286 2.1859 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 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 2 0 40 41 1 0 41 42 1 0 41 43 2 0 43 44 1 0 44 45 2 0 37 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 23 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 53 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 2 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 48 35 1 0 44 38 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 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 9 84 1 0 10 85 1 0 11 86 1 0 12 87 1 0 12 88 1 0 13 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 15 94 1 0 16 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 18100 1 0 22101 1 0 22102 1 0 23103 1 6 24104 1 0 24105 1 0 28106 1 0 32107 1 0 34108 1 0 34109 1 0 35110 1 1 37111 1 1 39112 1 0 40113 1 0 42114 1 0 42115 1 0 46116 1 1 47117 1 0 48118 1 6 49119 1 0 53120 1 0 53121 1 0 54122 1 0 54123 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 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 69151 1 0 70152 1 0 70153 1 0 71154 1 0 71155 1 0 71156 1 0 M END