data_MGE # _chem_comp.id MGE _chem_comp.name "(1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C38 H72 O10" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms MONOGALACTOSYL-DIACYLGLYCEROL _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2005-10-03 _chem_comp.pdbx_modified_date 2020-06-17 _chem_comp.pdbx_ambiguous_flag N _chem_comp.pdbx_release_status REL _chem_comp.pdbx_replaced_by ? _chem_comp.pdbx_replaces ? _chem_comp.formula_weight 688.972 _chem_comp.one_letter_code ? _chem_comp.three_letter_code MGE _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details ? _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 2AXT _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site RCSB # # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.alt_atom_id _chem_comp_atom.type_symbol _chem_comp_atom.charge _chem_comp_atom.pdbx_align _chem_comp_atom.pdbx_aromatic_flag _chem_comp_atom.pdbx_leaving_atom_flag _chem_comp_atom.pdbx_stereo_config _chem_comp_atom.model_Cartn_x _chem_comp_atom.model_Cartn_y _chem_comp_atom.model_Cartn_z _chem_comp_atom.pdbx_model_Cartn_x_ideal _chem_comp_atom.pdbx_model_Cartn_y_ideal _chem_comp_atom.pdbx_model_Cartn_z_ideal _chem_comp_atom.pdbx_component_atom_id _chem_comp_atom.pdbx_component_comp_id _chem_comp_atom.pdbx_ordinal MGE C1A C1A C 0 1 N N N 52.163 39.073 57.376 -4.575 -0.915 -1.917 C1A MGE 1 MGE C2A C2A C 0 1 N N N 51.474 40.467 57.501 -5.330 -0.086 -0.911 C2A MGE 2 MGE C3A C3A C 0 1 N N N 49.976 40.530 57.051 -6.749 0.172 -1.424 C3A MGE 3 MGE C4A C4A C 0 1 N N N 49.747 40.216 55.575 -7.515 1.015 -0.402 C4A MGE 4 MGE C5A C5A C 0 1 N N N 49.011 41.328 54.876 -8.933 1.272 -0.915 C5A MGE 5 MGE C6A C6A C 0 1 N N N 47.554 40.972 54.783 -9.700 2.115 0.106 C6A MGE 6 MGE C7A C7A C 0 1 N N N 46.664 42.125 55.150 -11.118 2.372 -0.407 C7A MGE 7 MGE C8A C8A C 0 1 N N N 46.444 42.989 53.909 -11.885 3.215 0.615 C8A MGE 8 MGE C9A C9A C 0 1 N N N 46.509 44.464 54.232 -13.303 3.472 0.102 C9A MGE 9 MGE CAA C10A C 0 1 N N N 47.503 45.168 53.322 -14.070 4.315 1.123 CAA MGE 10 MGE CBA C11A C 0 1 N N N 47.717 46.615 53.763 -15.488 4.573 0.610 CBA MGE 11 MGE CCA C12A C 0 1 N N N 47.256 47.607 52.697 -16.255 5.415 1.632 CCA MGE 12 MGE CDA C13A C 0 1 N N N 47.348 49.054 53.237 -17.673 5.673 1.119 CDA MGE 13 MGE O1A O1A O 0 1 N N N 51.744 38.214 56.564 -5.083 -1.185 -2.980 O1A MGE 14 MGE C1B C1B C 0 1 N N N 56.124 38.725 61.655 0.893 -1.506 -1.649 C1B MGE 15 MGE C2B C2B C 0 1 N N N 56.470 40.150 62.091 1.733 -0.324 -1.240 C2B MGE 16 MGE C3B C3B C 0 1 N N N 56.334 41.205 60.987 3.215 -0.692 -1.344 C3B MGE 17 MGE C4B C4B C 0 1 N N N 56.719 42.580 61.524 4.068 0.509 -0.929 C4B MGE 18 MGE C5B C5B C 0 1 N N N 56.286 43.695 60.582 5.550 0.141 -1.032 C5B MGE 19 MGE C6B C6B C 0 1 N N N 55.354 44.707 61.260 6.404 1.341 -0.618 C6B MGE 20 MGE C7B C7B C 0 1 N N N 54.450 45.450 60.287 7.885 0.973 -0.721 C7B MGE 21 MGE C8B C8B C 0 1 N N N 53.381 46.275 61.020 8.739 2.173 -0.306 C8B MGE 22 MGE C9B C9B C 0 1 N N N 53.028 47.597 60.368 10.220 1.805 -0.410 C9B MGE 23 MGE CAB C10B C 0 1 N N N 51.724 48.127 60.886 11.074 3.006 0.005 CAB MGE 24 MGE CBB C11B C 0 1 N N N 51.398 49.474 60.292 12.555 2.638 -0.098 CBB MGE 25 MGE CCB C12B C 0 1 N N N 50.376 49.328 59.189 13.409 3.838 0.316 CCB MGE 26 MGE CDB C13B C 0 1 N N N 49.807 50.671 58.779 14.890 3.470 0.213 CDB MGE 27 MGE CEB C14B C 0 1 N N N 49.333 50.683 57.338 15.744 4.670 0.628 CEB MGE 28 MGE CFB C15B C 0 1 N N N 48.730 52.045 56.968 17.226 4.302 0.524 CFB MGE 29 MGE CGB C16B C 0 1 N N N 47.464 51.893 56.132 18.079 5.502 0.939 CGB MGE 30 MGE O1B O1B O 0 1 N N N 57.060 37.871 61.653 1.424 -2.537 -1.988 O1B MGE 31 MGE O1G O1G O 0 1 N N N 53.270 38.833 58.154 -3.339 -1.354 -1.633 O1G MGE 32 MGE C1G C1G C 0 1 N N N 53.106 38.578 59.554 -2.568 -2.058 -2.642 C1G MGE 33 MGE C2G C2G C 0 1 N N S 54.501 38.072 59.933 -1.257 -2.552 -2.029 C2G MGE 34 MGE O2G O2G O 0 1 N N N 54.784 38.425 61.315 -0.446 -1.413 -1.636 O2G MGE 35 MGE C3G C3G C 0 1 N N N 54.570 36.537 59.658 -1.560 -3.412 -0.800 C3G MGE 36 MGE O3G O3G O 0 1 N N N 53.682 35.787 60.480 -0.345 -3.974 -0.301 O3G MGE 37 MGE C1D C1D C 0 1 N N R 54.425 34.771 61.177 -0.706 -4.862 0.759 C1D MGE 38 MGE C2D C2D C 0 1 N N S 54.580 35.151 62.668 0.504 -5.718 1.140 C2D MGE 39 MGE O2D O2D O 0 1 N N N 53.290 35.351 63.282 0.913 -6.497 0.013 O2D MGE 40 MGE C3D C3D C 0 1 N N S 55.378 34.015 63.366 1.652 -4.799 1.571 C3D MGE 41 MGE O3D O3D O 0 1 N N N 55.584 34.279 64.770 2.097 -4.027 0.455 O3D MGE 42 MGE C4D C4D C 0 1 N N R 54.699 32.601 63.179 1.143 -3.864 2.673 C4D MGE 43 MGE O4D O4D O 0 1 N N N 53.514 32.473 63.932 2.150 -2.900 2.988 O4D MGE 44 MGE C5D C5D C 0 1 N N S 54.392 32.302 61.680 -0.115 -3.147 2.178 C5D MGE 45 MGE O5D O5D O 0 1 N N N 55.773 30.355 61.333 -1.712 -1.427 2.755 O5D MGE 46 MGE C6D C6D C 0 1 N N N 55.593 31.726 60.967 -0.612 -2.187 3.260 C6D MGE 47 MGE O6D O6D O 0 1 N N N 53.759 33.469 60.976 -1.134 -4.103 1.889 O6D MGE 48 MGE H2A1 1H2A H 0 0 N N N 51.512 40.759 58.561 -5.379 -0.620 0.038 H2A1 MGE 49 MGE H2A2 2H2A H 0 0 N N N 52.022 41.137 56.822 -4.818 0.866 -0.766 H2A2 MGE 50 MGE H3A1 1H3A H 0 0 N N N 49.414 39.793 57.644 -6.700 0.707 -2.373 H3A1 MGE 51 MGE H3A2 2H3A H 0 0 N N N 49.641 41.566 57.210 -7.261 -0.779 -1.568 H3A2 MGE 52 MGE H4A1 1H4A H 0 0 N N N 50.723 40.078 55.088 -7.564 0.480 0.546 H4A1 MGE 53 MGE H4A2 2H4A H 0 0 N N N 49.136 39.304 55.508 -7.003 1.966 -0.258 H4A2 MGE 54 MGE H5A1 1H5A H 0 0 N N N 49.127 42.262 55.446 -8.885 1.807 -1.864 H5A1 MGE 55 MGE H5A2 2H5A H 0 0 N N N 49.423 41.467 53.866 -9.446 0.321 -1.060 H5A2 MGE 56 MGE H6A1 1H6A H 0 0 N N N 47.332 40.673 53.748 -9.748 1.580 1.055 H6A1 MGE 57 MGE H6A2 2H6A H 0 0 N N N 47.359 40.154 55.492 -9.188 3.066 0.251 H6A2 MGE 58 MGE H7A1 1H7A H 0 0 N N N 45.698 41.747 55.515 -11.070 2.907 -1.355 H7A1 MGE 59 MGE H7A2 2H7A H 0 0 N N N 47.135 42.723 55.944 -11.631 1.421 -0.551 H7A2 MGE 60 MGE H8A1 1H8A H 0 0 N N N 47.227 42.755 53.173 -11.933 2.680 1.564 H8A1 MGE 61 MGE H8A2 2H8A H 0 0 N N N 45.442 42.769 53.511 -11.372 4.166 0.759 H8A2 MGE 62 MGE H9A1 1H9A H 0 0 N N N 45.513 44.908 54.089 -13.255 4.007 -0.847 H9A1 MGE 63 MGE H9A2 2H9A H 0 0 N N N 46.835 44.585 55.275 -13.816 2.521 -0.043 H9A2 MGE 64 MGE H101 1H10 H 0 0 N N N 48.465 44.636 53.363 -14.118 3.780 2.072 H101 MGE 65 MGE H102 2H10 H 0 0 N N N 47.103 45.168 52.297 -13.557 5.266 1.268 H102 MGE 66 MGE H111 1H11 H 0 0 N N N 47.140 46.792 54.683 -15.440 5.107 -0.338 H111 MGE 67 MGE H112 2H11 H 0 0 N N N 48.793 46.767 53.931 -16.000 3.622 0.466 H112 MGE 68 MGE H121 1H12 H 0 0 N N N 47.899 47.510 51.810 -16.303 4.880 2.581 H121 MGE 69 MGE H122 2H12 H 0 0 N N N 46.211 47.389 52.431 -15.742 6.366 1.777 H122 MGE 70 MGE H131 1H13 H 0 0 N N N 47.370 49.035 54.337 -17.624 6.207 0.170 H131 MGE 71 MGE H132 2H13 H 0 0 N N N 48.266 49.528 52.860 -18.185 4.722 0.974 H132 MGE 72 MGE H133 3H13 H 0 0 N N N 46.473 49.628 52.898 -18.219 6.273 1.847 H133 MGE 73 MGE H2B1 1H2B H 0 0 N N N 55.787 40.427 62.907 1.498 -0.048 -0.212 H2B1 MGE 74 MGE H2B2 2H2B H 0 0 N N N 57.529 40.140 62.389 1.521 0.518 -1.899 H2B2 MGE 75 MGE H3B1 1H3B H 0 0 N N N 56.999 40.943 60.151 3.450 -0.967 -2.372 H3B1 MGE 76 MGE H3B2 2H3B H 0 0 N N N 55.290 41.233 60.642 3.427 -1.533 -0.684 H3B2 MGE 77 MGE H4B1 1H4B H 0 0 N N N 56.228 42.729 62.497 3.833 0.784 0.099 H4B1 MGE 78 MGE H4B2 2H4B H 0 0 N N N 57.814 42.617 61.620 3.856 1.350 -1.588 H4B2 MGE 79 MGE H5B1 1H5B H 0 0 N N N 57.184 44.227 60.235 5.785 -0.135 -2.060 H5B1 MGE 80 MGE H5B2 2H5B H 0 0 N N N 55.734 43.236 59.749 5.762 -0.701 -0.373 H5B2 MGE 81 MGE H6B1 1H6B H 0 0 N N N 54.716 44.162 61.971 6.168 1.616 0.410 H6B1 MGE 82 MGE H6B2 2H6B H 0 0 N N N 55.991 45.458 61.750 6.191 2.183 -1.277 H6B2 MGE 83 MGE H7B1 1H7B H 0 0 N N N 55.067 46.130 59.681 8.120 0.698 -1.749 H7B1 MGE 84 MGE H7B2 2H7B H 0 0 N N N 53.939 44.707 59.657 8.097 0.131 -0.062 H7B2 MGE 85 MGE H8B1 1H8B H 0 0 N N N 52.464 45.669 61.062 8.503 2.448 0.722 H8B1 MGE 86 MGE H8B2 2H8B H 0 0 N N N 53.802 46.520 62.006 8.527 3.015 -0.965 H8B2 MGE 87 MGE H9B1 1H9B H 0 0 N N N 53.822 48.326 60.589 10.455 1.530 -1.438 H9B1 MGE 88 MGE H9B2 2H9B H 0 0 N N N 52.934 47.437 59.284 10.432 0.964 0.250 H9B2 MGE 89 MGE H201 1H20 H 0 0 N N N 50.924 47.420 60.621 10.839 3.281 1.033 H201 MGE 90 MGE H202 2H20 H 0 0 N N N 51.806 48.241 61.977 10.862 3.847 -0.654 H202 MGE 91 MGE H211 1H21 H 0 0 N N N 50.991 50.127 61.078 12.790 2.362 -1.126 H211 MGE 92 MGE H212 2H21 H 0 0 N N N 52.316 49.912 59.874 12.767 1.796 0.561 H212 MGE 93 MGE H221 1H22 H 0 0 N N N 50.860 48.866 58.316 13.174 4.113 1.344 H221 MGE 94 MGE H222 2H22 H 0 0 N N N 49.552 48.701 59.561 13.197 4.680 -0.343 H222 MGE 95 MGE H231 1H23 H 0 0 N N N 48.951 50.901 59.430 15.126 3.195 -0.815 H231 MGE 96 MGE H232 2H23 H 0 0 N N N 50.607 51.420 58.877 15.103 2.628 0.872 H232 MGE 97 MGE H241 1H24 H 0 0 N N N 50.190 50.480 56.678 15.509 4.945 1.656 H241 MGE 98 MGE H242 2H24 H 0 0 N N N 48.558 49.912 57.217 15.532 5.512 -0.031 H242 MGE 99 MGE H251 1H25 H 0 0 N N N 48.479 52.584 57.894 17.461 4.027 -0.504 H251 MGE 100 MGE H252 2H25 H 0 0 N N N 49.471 52.599 56.373 17.438 3.460 1.184 H252 MGE 101 MGE H261 1H26 H 0 0 N N N 46.588 51.856 56.796 17.867 6.344 0.280 H261 MGE 102 MGE H262 2H26 H 0 0 N N N 47.371 52.750 55.449 17.844 5.778 1.967 H262 MGE 103 MGE H263 3H26 H 0 0 N N N 47.520 50.963 55.548 19.135 5.240 0.865 H263 MGE 104 MGE H1G1 1H1G H 0 0 N N N 52.825 39.483 60.113 -2.351 -1.382 -3.470 H1G1 MGE 105 MGE H1G2 2H1G H 0 0 N N N 52.296 37.872 59.788 -3.142 -2.909 -3.009 H1G2 MGE 106 MGE H2G H2G H 0 1 N N N 55.281 38.548 59.321 -0.714 -3.148 -2.764 H2G MGE 107 MGE H3G1 1H3G H 0 0 N N N 54.300 36.361 58.606 -2.018 -2.793 -0.029 H3G1 MGE 108 MGE H3G2 2H3G H 0 0 N N N 55.594 36.204 59.885 -2.244 -4.214 -1.077 H3G2 MGE 109 MGE H1D H1D H 0 1 N N N 55.445 34.689 60.773 -1.518 -5.509 0.428 H1D MGE 110 MGE H2D H2D H 0 1 N N N 55.125 36.101 62.769 0.238 -6.380 1.964 H2D MGE 111 MGE H4 H4 H 0 1 N N N 53.391 35.395 64.226 0.163 -7.059 -0.224 H4 MGE 112 MGE H3D H3D H 0 1 N N N 56.359 33.992 62.869 2.477 -5.400 1.953 H3D MGE 113 MGE H3 H3 H 0 1 N N N 55.629 33.457 65.244 2.408 -4.653 -0.213 H3 MGE 114 MGE H4D H4D H 0 1 N N N 55.428 31.866 63.550 0.904 -4.446 3.564 H4D MGE 115 MGE H2 H2 H 0 1 N N N 53.728 32.444 64.857 2.922 -3.394 3.296 H2 MGE 116 MGE H5D H5D H 0 1 N N N 53.626 31.513 61.652 0.120 -2.585 1.275 H5D MGE 117 MGE H1 H1 H 0 1 N N N 55.813 29.820 60.549 -1.993 -0.836 3.467 H1 MGE 118 MGE H6D1 1H6D H 0 0 N N N 55.436 31.794 59.880 -0.934 -2.757 4.132 H6D1 MGE 119 MGE H6D2 2H6D H 0 0 N N N 56.489 32.296 61.254 0.195 -1.512 3.545 H6D2 MGE 120 # # loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.value_order _chem_comp_bond.pdbx_aromatic_flag _chem_comp_bond.pdbx_stereo_config _chem_comp_bond.pdbx_ordinal MGE C1A C2A SING N N 1 MGE C1A O1A DOUB N N 2 MGE C1A O1G SING N N 3 MGE C2A C3A SING N N 4 MGE C2A H2A1 SING N N 5 MGE C2A H2A2 SING N N 6 MGE C3A C4A SING N N 7 MGE C3A H3A1 SING N N 8 MGE C3A H3A2 SING N N 9 MGE C4A C5A SING N N 10 MGE C4A H4A1 SING N N 11 MGE C4A H4A2 SING N N 12 MGE C5A C6A SING N N 13 MGE C5A H5A1 SING N N 14 MGE C5A H5A2 SING N N 15 MGE C6A C7A SING N N 16 MGE C6A H6A1 SING N N 17 MGE C6A H6A2 SING N N 18 MGE C7A C8A SING N N 19 MGE C7A H7A1 SING N N 20 MGE C7A H7A2 SING N N 21 MGE C8A C9A SING N N 22 MGE C8A H8A1 SING N N 23 MGE C8A H8A2 SING N N 24 MGE C9A CAA SING N N 25 MGE C9A H9A1 SING N N 26 MGE C9A H9A2 SING N N 27 MGE CAA CBA SING N N 28 MGE CAA H101 SING N N 29 MGE CAA H102 SING N N 30 MGE CBA CCA SING N N 31 MGE CBA H111 SING N N 32 MGE CBA H112 SING N N 33 MGE CCA CDA SING N N 34 MGE CCA H121 SING N N 35 MGE CCA H122 SING N N 36 MGE CDA H131 SING N N 37 MGE CDA H132 SING N N 38 MGE CDA H133 SING N N 39 MGE C1B C2B SING N N 40 MGE C1B O1B DOUB N N 41 MGE C1B O2G SING N N 42 MGE C2B C3B SING N N 43 MGE C2B H2B1 SING N N 44 MGE C2B H2B2 SING N N 45 MGE C3B C4B SING N N 46 MGE C3B H3B1 SING N N 47 MGE C3B H3B2 SING N N 48 MGE C4B C5B SING N N 49 MGE C4B H4B1 SING N N 50 MGE C4B H4B2 SING N N 51 MGE C5B C6B SING N N 52 MGE C5B H5B1 SING N N 53 MGE C5B H5B2 SING N N 54 MGE C6B C7B SING N N 55 MGE C6B H6B1 SING N N 56 MGE C6B H6B2 SING N N 57 MGE C7B C8B SING N N 58 MGE C7B H7B1 SING N N 59 MGE C7B H7B2 SING N N 60 MGE C8B C9B SING N N 61 MGE C8B H8B1 SING N N 62 MGE C8B H8B2 SING N N 63 MGE C9B CAB SING N N 64 MGE C9B H9B1 SING N N 65 MGE C9B H9B2 SING N N 66 MGE CAB CBB SING N N 67 MGE CAB H201 SING N N 68 MGE CAB H202 SING N N 69 MGE CBB CCB SING N N 70 MGE CBB H211 SING N N 71 MGE CBB H212 SING N N 72 MGE CCB CDB SING N N 73 MGE CCB H221 SING N N 74 MGE CCB H222 SING N N 75 MGE CDB CEB SING N N 76 MGE CDB H231 SING N N 77 MGE CDB H232 SING N N 78 MGE CEB CFB SING N N 79 MGE CEB H241 SING N N 80 MGE CEB H242 SING N N 81 MGE CFB CGB SING N N 82 MGE CFB H251 SING N N 83 MGE CFB H252 SING N N 84 MGE CGB H261 SING N N 85 MGE CGB H262 SING N N 86 MGE CGB H263 SING N N 87 MGE O1G C1G SING N N 88 MGE C1G C2G SING N N 89 MGE C1G H1G1 SING N N 90 MGE C1G H1G2 SING N N 91 MGE C2G O2G SING N N 92 MGE C2G C3G SING N N 93 MGE C2G H2G SING N N 94 MGE C3G O3G SING N N 95 MGE C3G H3G1 SING N N 96 MGE C3G H3G2 SING N N 97 MGE O3G C1D SING N N 98 MGE C1D C2D SING N N 99 MGE C1D O6D SING N N 100 MGE C1D H1D SING N N 101 MGE C2D O2D SING N N 102 MGE C2D C3D SING N N 103 MGE C2D H2D SING N N 104 MGE O2D H4 SING N N 105 MGE C3D O3D SING N N 106 MGE C3D C4D SING N N 107 MGE C3D H3D SING N N 108 MGE O3D H3 SING N N 109 MGE C4D O4D SING N N 110 MGE C4D C5D SING N N 111 MGE C4D H4D SING N N 112 MGE O4D H2 SING N N 113 MGE C5D C6D SING N N 114 MGE C5D O6D SING N N 115 MGE C5D H5D SING N N 116 MGE O5D C6D SING N N 117 MGE O5D H1 SING N N 118 MGE C6D H6D1 SING N N 119 MGE C6D H6D2 SING N N 120 # # loop_ _pdbx_chem_comp_descriptor.comp_id _pdbx_chem_comp_descriptor.type _pdbx_chem_comp_descriptor.program _pdbx_chem_comp_descriptor.program_version _pdbx_chem_comp_descriptor.descriptor MGE SMILES ACDLabs 10.04 "O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC1OC(C(O)C(O)C1O)CO)CCCCCCCCCCCC" MGE SMILES_CANONICAL CACTVS 3.341 "CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O)COC(=O)CCCCCCCCCCCC" MGE SMILES CACTVS 3.341 "CCCCCCCCCCCCCCCC(=O)O[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)COC(=O)CCCCCCCCCCCC" MGE SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O)COC(=O)CCCCCCCCCCCC" MGE SMILES "OpenEye OEToolkits" 1.5.0 "CCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCCCCCCC" MGE InChI InChI 1.03 "InChI=1S/C38H72O10/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-34(41)47-31(30-46-38-37(44)36(43)35(42)32(28-39)48-38)29-45-33(40)26-24-22-20-18-14-12-10-8-6-4-2/h31-32,35-39,42-44H,3-30H2,1-2H3/t31-,32+,35+,36+,37+,38-/m1/s1" MGE InChIKey InChI 1.03 FIJGNIAJTZSERN-DQQGJSMTSA-N # # loop_ _pdbx_chem_comp_identifier.comp_id _pdbx_chem_comp_identifier.type _pdbx_chem_comp_identifier.program _pdbx_chem_comp_identifier.program_version _pdbx_chem_comp_identifier.identifier MGE "SYSTEMATIC NAME" ACDLabs 10.04 "(1S)-2-(alpha-L-allopyranosyloxy)-1-[(tridecanoyloxy)methyl]ethyl hexadecanoate" MGE "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2S)-1-tridecanoyloxy-3-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-propan-2-yl] hexadecanoate" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site MGE "Create component" 2005-10-03 RCSB MGE "Modify descriptor" 2011-06-04 RCSB MGE "Modify synonyms" 2020-06-05 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id MGE _pdbx_chem_comp_synonyms.name MONOGALACTOSYL-DIACYLGLYCEROL _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##