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                    2008-10-14 
_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 InChI            InChI                1.02b 
InChI=1/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                1.02b FIJGNIAJTZSERN-DQQGJSMTBR 
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 
# 
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" 
# 
