data_M5G
# 
_chem_comp.id                                    M5G 
_chem_comp.name                                  
2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-alpha-D-glucopyranose 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C46 H78 N2 O36" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2008-05-19 
_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                        1235.103 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     M5G 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        3CZN 
_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 
M5G O71  O71  O 0 1 N N N 28.169 70.762 18.038 5.939   3.004  -3.711 O71  M5G 1   
M5G C71  C71  C 0 1 N N N 28.295 70.909 16.828 5.536   2.326  -4.632 C71  M5G 2   
M5G C81  C81  C 0 1 N N N 29.466 71.244 16.321 6.493   1.856  -5.697 C81  M5G 3   
M5G N21  N21  N 0 1 N N N 27.301 70.747 15.948 4.233   1.988  -4.701 N21  M5G 4   
M5G C21  C21  C 0 1 N N R 25.947 70.380 16.353 3.303   2.440  -3.663 C21  M5G 5   
M5G C31  C31  C 0 1 N N R 25.267 69.780 15.128 2.108   1.485  -3.596 C31  M5G 6   
M5G O31  O31  O 0 1 N N N 25.867 68.511 14.847 2.555   0.184  -3.210 O31  M5G 7   
M5G C11  C11  C 0 1 N N S 25.237 71.674 16.757 2.805   3.848  -4.000 C11  M5G 8   
M5G O11  O11  O 0 1 N N N 25.276 72.661 15.712 2.185   3.838  -5.287 O11  M5G 9   
M5G O51  O51  O 0 1 N N N 23.886 71.362 17.118 1.854   4.263  -3.017 O51  M5G 10  
M5G C51  C51  C 0 1 N N R 23.059 70.675 16.159 0.692   3.434  -2.942 C51  M5G 11  
M5G C61  C61  C 0 1 N N N 21.913 70.043 16.941 -0.262  3.988  -1.881 C61  M5G 12  
M5G O61  O61  O 0 1 N N N 20.746 70.863 16.851 -0.737  5.272  -2.292 O61  M5G 13  
M5G C41  C41  C 0 1 N N S 23.759 69.582 15.335 1.106   2.010  -2.562 C41  M5G 14  
M5G O12  O12  O 0 1 N N N 23.096 69.487 14.066 -0.047  1.167  -2.543 O12  M5G 15  
M5G C12  C12  C 0 1 N N S 22.865 68.140 13.666 -0.577  0.937  -1.236 C12  M5G 16  
M5G C22  C22  C 0 1 N N S 21.628 68.028 12.781 -1.926  0.221  -1.351 C22  M5G 17  
M5G O22  O22  O 0 1 N N N 21.709 68.832 11.594 -1.756  -1.004 -2.067 O22  M5G 18  
M5G C32  C32  C 0 1 N N S 21.463 66.561 12.401 -2.459  -0.075 0.054  C32  M5G 19  
M5G O13  O13  O 0 1 N N N 20.334 66.426 11.541 -3.683  -0.807 -0.044 O13  M5G 20  
M5G C13  C13  C 0 1 N N R 19.316 65.666 12.194 -4.849  0.016  -0.101 C13  M5G 21  
M5G O53  O53  O 0 1 N N N 18.697 66.427 13.248 -4.891  0.697  -1.357 O53  M5G 22  
M5G C53  C53  C 0 1 N N R 17.925 67.553 12.808 -4.907  -0.172 -2.491 C53  M5G 23  
M5G C63  C63  C 0 1 N N N 17.364 68.261 14.031 -4.923  0.663  -3.773 C63  M5G 24  
M5G O63  O63  O 0 1 N N N 18.454 68.835 14.761 -3.702  1.398  -3.878 O63  M5G 25  
M5G C43  C43  C 0 1 N N S 16.822 67.125 11.836 -6.158  -1.053 -2.440 C43  M5G 26  
M5G O43  O43  O 0 1 N N N 16.140 68.277 11.323 -6.148  -1.962 -3.543 O43  M5G 27  
M5G C33  C33  C 0 1 N N S 17.438 66.372 10.664 -6.165  -1.840 -1.126 C33  M5G 28  
M5G O33  O33  O 0 1 N N N 16.425 65.876 9.797  -7.366  -2.610 -1.037 O33  M5G 29  
M5G C23  C23  C 0 1 N N S 18.278 65.206 11.170 -6.098  -0.857 0.046  C23  M5G 30  
M5G O14  O14  O 0 1 N N N 17.396 64.297 11.815 -7.263  -0.029 0.042  O14  M5G 31  
M5G C14  C14  C 0 1 N N S 17.869 62.965 11.814 -7.666  0.414  1.339  C14  M5G 32  
M5G O54  O54  O 0 1 N N N 17.177 62.308 10.758 -8.069  -0.711 2.123  O54  M5G 33  
M5G C54  C54  C 0 1 N N R 17.471 60.918 10.638 -8.469  -0.382 3.455  C54  M5G 34  
M5G C64  C64  C 0 1 N N N 16.649 60.368 9.487  -8.851  -1.660 4.204  C64  M5G 35  
M5G O64  O64  O 0 1 N N N 15.260 60.632 9.740  -7.696  -2.489 4.351  O64  M5G 36  
M5G C44  C44  C 0 1 N N S 17.135 60.230 11.960 -9.675  0.560  3.405  C44  M5G 37  
M5G O44  O44  O 0 1 N N N 17.415 58.835 11.859 -10.042 0.937  4.734  O44  M5G 38  
M5G C34  C34  C 0 1 N N R 17.925 60.873 13.088 -9.304  1.810  2.602  C34  M5G 39  
M5G O34  O34  O 0 1 N N N 17.662 60.176 14.309 -10.446 2.662  2.488  O34  M5G 40  
M5G C24  C24  C 0 1 N N R 17.495 62.334 13.154 -8.840  1.387  1.205  C24  M5G 41  
M5G N24  N24  N 0 1 N N N 18.239 63.046 14.197 -8.411  2.569  0.453  N24  M5G 42  
M5G C74  C74  C 0 1 N N N 17.587 63.900 15.008 -8.437  2.556  -0.895 C74  M5G 43  
M5G O74  O74  O 0 1 N N N 16.381 64.097 14.923 -8.814  1.565  -1.485 O74  M5G 44  
M5G C84  C84  C 0 1 N N N 18.425 64.596 16.035 -7.996  3.772  -1.669 C84  M5G 45  
M5G O52  O52  O 0 1 N N N 24.001 67.660 12.938 0.330   0.125  -0.489 O52  M5G 46  
M5G C52  C52  C 0 1 N N R 23.926 66.259 12.693 -0.094  -0.146 0.848  C52  M5G 47  
M5G C42  C42  C 0 1 N N R 22.737 65.974 11.783 -1.423  -0.906 0.817  C42  M5G 48  
M5G O42  O42  O 0 1 N N N 22.597 64.556 11.696 -1.878  -1.127 2.154  O42  M5G 49  
M5G C62  C62  C 0 1 N N N 25.241 65.834 12.068 0.964   -0.995 1.557  C62  M5G 50  
M5G O15  O15  O 0 1 N N N 26.243 65.972 13.077 2.170   -0.241 1.688  O15  M5G 51  
M5G C15  C15  C 0 1 N N S 27.388 65.194 12.766 3.228   -0.946 2.341  C15  M5G 52  
M5G C25  C25  C 0 1 N N S 28.322 65.170 13.971 4.373   0.023  2.649  C25  M5G 53  
M5G O25  O25  O 0 1 N N N 29.380 64.244 13.693 5.409   -0.670 3.349  O25  M5G 54  
M5G C35  C35  C 0 1 N N S 28.902 66.564 14.237 4.927   0.581  1.335  C35  M5G 55  
M5G O16  O16  O 0 1 N N N 29.820 66.447 15.319 6.044   1.429  1.609  O16  M5G 56  
M5G C16  C16  C 0 1 N N R 29.890 67.525 16.254 5.696   2.799  1.817  C16  M5G 57  
M5G C26  C26  C 0 1 N N S 31.067 67.188 17.159 6.968   3.650  1.855  C26  M5G 58  
M5G O26  O26  O 0 1 N N N 31.305 68.289 18.043 6.618   5.026  2.010  O26  M5G 59  
M5G C36  C36  C 0 1 N N S 30.762 65.924 17.952 7.836   3.206  3.037  C36  M5G 60  
M5G O36  O36  O 0 1 N N N 31.832 65.558 18.826 8.991   4.043  3.123  O36  M5G 61  
M5G C46  C46  C 0 1 N N S 29.483 66.115 18.754 7.019   3.324  4.327  C46  M5G 62  
M5G O46  O46  O 0 1 N N N 29.161 64.887 19.389 7.794   2.844  5.428  O46  M5G 63  
M5G C56  C56  C 0 1 N N R 28.344 66.489 17.812 5.745   2.487  4.195  C56  M5G 64  
M5G C66  C66  C 0 1 N N N 27.089 66.831 18.609 4.895   2.648  5.457  C66  M5G 65  
M5G O66  O66  O 0 1 N N N 26.033 67.208 17.720 3.764   1.777  5.384  O66  M5G 66  
M5G O56  O56  O 0 1 N N N 28.701 67.643 17.040 5.000   2.931  3.059  O56  M5G 67  
M5G C45  C45  C 0 1 N N R 29.595 67.097 12.980 5.375   -0.584 0.447  C45  M5G 68  
M5G O45  O45  O 0 1 N N N 30.031 68.441 13.194 5.827   -0.079 -0.811 O45  M5G 69  
M5G C55  C55  C 0 1 N N R 28.608 67.067 11.807 4.192   -1.529 0.223  C55  M5G 70  
M5G O55  O55  O 0 1 N N N 28.060 65.755 11.631 3.704   -1.987 1.486  O55  M5G 71  
M5G C65  C65  C 0 1 N N N 29.178 67.510 10.457 4.646   -2.727 -0.613 C65  M5G 72  
M5G O17  O17  O 0 1 N N N 30.550 67.133 10.225 3.518   -3.549 -0.920 O17  M5G 73  
M5G C17  C17  C 0 1 N N S 30.766 65.873 9.579  3.835   -4.701 -1.703 C17  M5G 74  
M5G C27  C27  C 0 1 N N S 32.236 65.743 9.111  2.540   -5.366 -2.180 C27  M5G 75  
M5G O27  O27  O 0 1 N N N 32.560 64.370 8.848  2.856   -6.487 -3.008 O27  M5G 76  
M5G C37  C37  C 0 1 N N S 32.558 66.558 7.855  1.739   -5.838 -0.962 C37  M5G 77  
M5G O37  O37  O 0 1 N N N 33.815 66.116 7.324  0.564   -6.523 -1.399 O37  M5G 78  
M5G C47  C47  C 0 1 N N S 31.465 66.435 6.789  2.608   -6.786 -0.129 C47  M5G 79  
M5G O47  O47  O 0 1 N N N 31.643 67.461 5.815  1.896   -7.174 1.048  O47  M5G 80  
M5G C57  C57  C 0 1 N N R 30.073 66.612 7.388  3.899   -6.066 0.268  C57  M5G 81  
M5G O57  O57  O 0 1 N N N 29.903 65.678 8.451  4.580   -5.627 -0.909 O57  M5G 82  
M5G C67  C67  C 0 1 N N N 28.939 66.340 6.412  4.799   -7.026 1.049  C67  M5G 83  
M5G O67  O67  O 0 1 N N N 27.686 66.617 7.070  5.950   -6.323 1.520  O67  M5G 84  
M5G H81  H81  H 0 1 N N N 29.380 71.337 15.228 6.912   0.891  -5.410 H81  M5G 85  
M5G H81A H81A H 0 0 N N N 29.788 72.206 16.747 5.962   1.754  -6.644 H81A M5G 86  
M5G H81B H81B H 0 0 N N N 30.207 70.468 16.565 7.298   2.582  -5.808 H81B M5G 87  
M5G HN21 HN21 H 0 0 N N N 27.492 70.882 14.976 3.911   1.446  -5.438 HN21 M5G 88  
M5G H21  H21  H 0 1 N N N 25.929 69.663 17.187 3.813   2.455  -2.699 H21  M5G 89  
M5G H31  H31  H 0 1 N N N 25.399 70.481 14.291 1.628   1.432  -4.573 H31  M5G 90  
M5G HO31 HO31 H 0 0 N N N 26.000 68.424 13.910 3.198   -0.207 -3.817 HO31 M5G 91  
M5G H11  H11  H 0 1 N N N 25.763 72.113 17.617 3.647   4.540  -4.007 H11  M5G 92  
M5G HO11 HO11 H 0 0 N N N 25.285 73.530 16.096 1.844   4.699  -5.567 HO11 M5G 93  
M5G H51  H51  H 0 1 N N N 22.739 71.423 15.418 0.192   3.422  -3.910 H51  M5G 94  
M5G H61  H61  H 0 1 N N N 21.692 69.050 16.522 -1.106  3.309  -1.762 H61  M5G 95  
M5G H61A H61A H 0 0 N N N 22.206 69.948 17.997 0.266   4.082  -0.932 H61A M5G 96  
M5G HO61 HO61 H 0 0 N N N 20.418 71.045 17.724 -1.348  5.684  -1.666 HO61 M5G 97  
M5G H41  H41  H 0 1 N N N 23.681 68.651 15.916 1.571   2.016  -1.576 H41  M5G 98  
M5G H12  H12  H 0 1 N N N 22.703 67.537 14.572 -0.715  1.891  -0.727 H12  M5G 99  
M5G H22  H22  H 0 1 N N N 20.762 68.403 13.346 -2.633  0.858  -1.882 H22  M5G 100 
M5G HO22 HO22 H 0 0 N N N 21.727 69.751 11.834 -1.416  -0.891 -2.965 HO22 M5G 101 
M5G H32  H32  H 0 1 N N N 21.285 65.976 13.315 -2.636  0.862  0.582  H32  M5G 102 
M5G H13  H13  H 0 1 N N N 19.778 64.780 12.654 -4.819  0.747  0.707  H13  M5G 103 
M5G H53  H53  H 0 1 N N N 18.568 68.252 12.252 -4.017  -0.803 -2.479 H53  M5G 104 
M5G H63  H63  H 0 1 N N N 16.667 69.052 13.717 -5.024  0.003  -4.635 H63  M5G 105 
M5G H63A H63A H 0 0 N N N 16.821 67.545 14.665 -5.763  1.356  -3.745 H63A M5G 106 
M5G HO63 HO63 H 0 0 N N N 19.194 68.962 14.179 -3.642  1.951  -4.669 HO63 M5G 107 
M5G H43  H43  H 0 1 N N N 16.112 66.481 12.375 -7.048  -0.426 -2.493 H43  M5G 108 
M5G HO43 HO43 H 0 0 N N N 15.989 68.896 12.028 -6.138  -1.530 -4.408 HO43 M5G 109 
M5G H33  H33  H 0 1 N N N 18.077 67.073 10.107 -5.301  -2.505 -1.095 H33  M5G 110 
M5G HO33 HO33 H 0 0 N N N 15.617 65.765 10.284 -7.477  -3.250 -1.753 HO33 M5G 111 
M5G H23  H23  H 0 1 N N N 18.807 64.748 10.321 -6.047  -1.411 0.984  H23  M5G 112 
M5G H14  H14  H 0 1 N N N 18.958 62.896 11.675 -6.831  0.916  1.828  H14  M5G 113 
M5G H54  H54  H 0 1 N N N 18.536 60.740 10.428 -7.645  0.110  3.971  H54  M5G 114 
M5G H64  H64  H 0 1 N N N 16.953 60.855 8.549  -9.240  -1.401 5.189  H64  M5G 115 
M5G H64A H64A H 0 0 N N N 16.812 59.284 9.397  -9.614  -2.197 3.641  H64A M5G 116 
M5G HO64 HO64 H 0 0 N N N 15.114 60.690 10.677 -7.864  -3.318 4.818  HO64 M5G 117 
M5G H44  H44  H 0 1 N N N 16.064 60.350 12.182 -10.513 0.054  2.925  H44  M5G 118 
M5G HO44 HO44 H 0 0 N N N 17.477 58.590 10.943 -10.285 0.193  5.301  HO44 M5G 119 
M5G H34  H34  H 0 1 N N N 19.010 60.820 12.918 -8.500  2.343  3.108  H34  M5G 120 
M5G HO34 HO34 H 0 0 N N N 17.604 59.244 14.136 -10.799 2.963  3.337  HO34 M5G 121 
M5G H24  H24  H 0 1 N N N 16.418 62.396 13.371 -9.660  0.898  0.681  H24  M5G 122 
M5G HN24 HN24 H 0 0 N N N 19.222 62.899 14.305 -8.110  3.361  0.924  HN24 M5G 123 
M5G H84  H84  H 0 1 N N N 19.434 64.767 15.631 -6.927  3.707  -1.870 H84  M5G 124 
M5G H84A H84A H 0 0 N N N 17.964 65.562 16.291 -8.541  3.819  -2.612 H84A M5G 125 
M5G H84B H84B H 0 0 N N N 18.492 63.971 16.938 -8.202  4.668  -1.085 H84B M5G 126 
M5G H52  H52  H 0 1 N N N 23.771 65.687 13.620 -0.225  0.794  1.385  H52  M5G 127 
M5G H42  H42  H 0 1 N N N 22.895 66.421 10.791 -1.283  -1.864 0.316  H42  M5G 128 
M5G HO42 HO42 H 0 0 N N N 22.566 64.296 10.783 -1.269  -1.647 2.695  HO42 M5G 129 
M5G H62  H62  H 0 1 N N N 25.183 64.790 11.727 0.601   -1.275 2.546  H62  M5G 130 
M5G H62A H62A H 0 0 N N N 25.478 66.455 11.191 1.159   -1.894 0.973  H62A M5G 131 
M5G H15  H15  H 0 1 N N N 27.083 64.165 12.524 2.858   -1.378 3.270  H15  M5G 132 
M5G H25  H25  H 0 1 N N N 27.765 64.862 14.868 4.001   0.842  3.265  H25  M5G 133 
M5G HO25 HO25 H 0 0 N N N 29.387 64.039 12.765 5.126   -1.054 4.190  HO25 M5G 134 
M5G H35  H35  H 0 1 N N N 28.105 67.277 14.497 4.152   1.152  0.826  H35  M5G 135 
M5G H16  H16  H 0 1 N N N 30.005 68.484 15.728 5.055   3.139  1.004  H16  M5G 136 
M5G H26  H26  H 0 1 N N N 31.967 67.009 16.553 7.523   3.516  0.926  H26  M5G 137 
M5G HO26 HO26 H 0 0 N N N 31.358 67.972 18.937 6.064   5.374  1.297  HO26 M5G 138 
M5G H36  H36  H 0 1 N N N 30.635 65.105 17.229 8.144   2.170  2.894  H36  M5G 139 
M5G HO36 HO36 H 0 0 N N N 32.636 65.477 18.326 9.551   4.022  2.335  HO36 M5G 140 
M5G H46  H46  H 0 1 N N N 29.626 66.911 19.499 6.754   4.368  4.496  H46  M5G 141 
M5G HO46 HO46 H 0 0 N N N 29.089 64.201 18.735 8.620   3.327  5.568  HO46 M5G 142 
M5G H56  H56  H 0 1 N N N 28.154 65.630 17.152 6.011   1.437  4.067  H56  M5G 143 
M5G H66  H66  H 0 1 N N N 26.777 65.952 19.192 5.493   2.394  6.332  H66  M5G 144 
M5G H66A H66A H 0 0 N N N 27.308 67.670 19.286 4.554   3.680  5.536  H66A M5G 145 
M5G HO66 HO66 H 0 0 N N N 25.222 67.292 18.208 3.180   1.827  6.152  HO66 M5G 146 
M5G H45  H45  H 0 1 N N N 30.467 66.466 12.753 6.186   -1.124 0.936  H45  M5G 147 
M5G HO45 HO45 H 0 0 N N N 30.128 68.598 14.126 6.126   -0.764 -1.425 HO45 M5G 148 
M5G H55  H55  H 0 1 N N N 27.842 67.801 12.097 3.397   -0.999 -0.302 H55  M5G 149 
M5G H65  H65  H 0 1 N N N 28.566 67.049 9.668  5.100   -2.372 -1.539 H65  M5G 150 
M5G H65A H65A H 0 0 N N N 29.152 68.610 10.453 5.376   -3.308 -0.050 H65A M5G 151 
M5G H17  H17  H 0 1 N N N 30.535 65.100 10.327 4.429   -4.402 -2.567 H17  M5G 152 
M5G H27  H27  H 0 1 N N N 32.841 66.144 9.937  1.950   -4.648 -2.748 H27  M5G 153 
M5G HO27 HO27 H 0 0 N N N 32.632 64.235 7.910  3.368   -6.262 -3.797 HO27 M5G 154 
M5G H37  H37  H 0 1 N N N 32.613 67.619 8.139  1.456   -4.976 -0.357 H37  M5G 155 
M5G HO37 HO37 H 0 0 N N N 33.744 66.018 6.382  -0.029  -5.982 -1.938 HO37 M5G 156 
M5G H47  H47  H 0 1 N N N 31.546 65.432 6.345  2.850   -7.670 -0.718 H47  M5G 157 
M5G HO47 HO47 H 0 0 N N N 31.683 68.306 6.248  1.064   -7.633 0.871  HO47 M5G 158 
M5G H57  H57  H 0 1 N N N 30.021 67.663 7.707  3.658   -5.205 0.891  H57  M5G 159 
M5G H67  H67  H 0 1 N N N 29.046 66.987 5.529  4.248   -7.430 1.899  H67  M5G 160 
M5G H67A H67A H 0 0 N N N 28.968 65.289 6.088  5.112   -7.842 0.398  H67A M5G 161 
M5G HO67 HO67 H 0 0 N N N 27.827 66.678 8.008  6.567   -6.871 2.025  HO67 M5G 162 
# 
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 
M5G C71 O71  DOUB N N 1   
M5G N21 C71  SING N N 2   
M5G C81 C71  SING N N 3   
M5G C81 H81  SING N N 4   
M5G C81 H81A SING N N 5   
M5G C81 H81B SING N N 6   
M5G N21 C21  SING N N 7   
M5G N21 HN21 SING N N 8   
M5G C31 C21  SING N N 9   
M5G C21 C11  SING N N 10  
M5G C21 H21  SING N N 11  
M5G O31 C31  SING N N 12  
M5G C31 C41  SING N N 13  
M5G C31 H31  SING N N 14  
M5G O31 HO31 SING N N 15  
M5G O11 C11  SING N N 16  
M5G C11 O51  SING N N 17  
M5G C11 H11  SING N N 18  
M5G O11 HO11 SING N N 19  
M5G C51 O51  SING N N 20  
M5G C41 C51  SING N N 21  
M5G C51 C61  SING N N 22  
M5G C51 H51  SING N N 23  
M5G O61 C61  SING N N 24  
M5G C61 H61  SING N N 25  
M5G C61 H61A SING N N 26  
M5G O61 HO61 SING N N 27  
M5G O12 C41  SING N N 28  
M5G C41 H41  SING N N 29  
M5G C12 O12  SING N N 30  
M5G C22 C12  SING N N 31  
M5G O52 C12  SING N N 32  
M5G C12 H12  SING N N 33  
M5G O22 C22  SING N N 34  
M5G C32 C22  SING N N 35  
M5G C22 H22  SING N N 36  
M5G O22 HO22 SING N N 37  
M5G O13 C32  SING N N 38  
M5G C42 C32  SING N N 39  
M5G C32 H32  SING N N 40  
M5G O13 C13  SING N N 41  
M5G C23 C13  SING N N 42  
M5G C13 O53  SING N N 43  
M5G C13 H13  SING N N 44  
M5G C53 O53  SING N N 45  
M5G C43 C53  SING N N 46  
M5G C53 C63  SING N N 47  
M5G C53 H53  SING N N 48  
M5G C63 O63  SING N N 49  
M5G C63 H63  SING N N 50  
M5G C63 H63A SING N N 51  
M5G O63 HO63 SING N N 52  
M5G C33 C43  SING N N 53  
M5G O43 C43  SING N N 54  
M5G C43 H43  SING N N 55  
M5G O43 HO43 SING N N 56  
M5G O33 C33  SING N N 57  
M5G C33 C23  SING N N 58  
M5G C33 H33  SING N N 59  
M5G O33 HO33 SING N N 60  
M5G C23 O14  SING N N 61  
M5G C23 H23  SING N N 62  
M5G C14 O14  SING N N 63  
M5G O54 C14  SING N N 64  
M5G C14 C24  SING N N 65  
M5G C14 H14  SING N N 66  
M5G C54 O54  SING N N 67  
M5G C64 C54  SING N N 68  
M5G C54 C44  SING N N 69  
M5G C54 H54  SING N N 70  
M5G C64 O64  SING N N 71  
M5G C64 H64  SING N N 72  
M5G C64 H64A SING N N 73  
M5G O64 HO64 SING N N 74  
M5G O44 C44  SING N N 75  
M5G C44 C34  SING N N 76  
M5G C44 H44  SING N N 77  
M5G O44 HO44 SING N N 78  
M5G C34 C24  SING N N 79  
M5G C34 O34  SING N N 80  
M5G C34 H34  SING N N 81  
M5G O34 HO34 SING N N 82  
M5G C24 N24  SING N N 83  
M5G C24 H24  SING N N 84  
M5G N24 C74  SING N N 85  
M5G N24 HN24 SING N N 86  
M5G O74 C74  DOUB N N 87  
M5G C74 C84  SING N N 88  
M5G C84 H84  SING N N 89  
M5G C84 H84A SING N N 90  
M5G C84 H84B SING N N 91  
M5G C52 O52  SING N N 92  
M5G C42 C52  SING N N 93  
M5G C62 C52  SING N N 94  
M5G C52 H52  SING N N 95  
M5G O42 C42  SING N N 96  
M5G C42 H42  SING N N 97  
M5G O42 HO42 SING N N 98  
M5G C62 O15  SING N N 99  
M5G C62 H62  SING N N 100 
M5G C62 H62A SING N N 101 
M5G C15 O15  SING N N 102 
M5G O55 C15  SING N N 103 
M5G C15 C25  SING N N 104 
M5G C15 H15  SING N N 105 
M5G O25 C25  SING N N 106 
M5G C25 C35  SING N N 107 
M5G C25 H25  SING N N 108 
M5G O25 HO25 SING N N 109 
M5G C45 C35  SING N N 110 
M5G C35 O16  SING N N 111 
M5G C35 H35  SING N N 112 
M5G O16 C16  SING N N 113 
M5G C16 O56  SING N N 114 
M5G C16 C26  SING N N 115 
M5G C16 H16  SING N N 116 
M5G C26 C36  SING N N 117 
M5G C26 O26  SING N N 118 
M5G C26 H26  SING N N 119 
M5G O26 HO26 SING N N 120 
M5G C36 C46  SING N N 121 
M5G C36 O36  SING N N 122 
M5G C36 H36  SING N N 123 
M5G O36 HO36 SING N N 124 
M5G C56 C46  SING N N 125 
M5G C46 O46  SING N N 126 
M5G C46 H46  SING N N 127 
M5G O46 HO46 SING N N 128 
M5G O56 C56  SING N N 129 
M5G C56 C66  SING N N 130 
M5G C56 H56  SING N N 131 
M5G O66 C66  SING N N 132 
M5G C66 H66  SING N N 133 
M5G C66 H66A SING N N 134 
M5G O66 HO66 SING N N 135 
M5G C55 C45  SING N N 136 
M5G C45 O45  SING N N 137 
M5G C45 H45  SING N N 138 
M5G O45 HO45 SING N N 139 
M5G C65 C55  SING N N 140 
M5G O55 C55  SING N N 141 
M5G C55 H55  SING N N 142 
M5G O17 C65  SING N N 143 
M5G C65 H65  SING N N 144 
M5G C65 H65A SING N N 145 
M5G C17 O17  SING N N 146 
M5G O57 C17  SING N N 147 
M5G C27 C17  SING N N 148 
M5G C17 H17  SING N N 149 
M5G C37 C27  SING N N 150 
M5G O27 C27  SING N N 151 
M5G C27 H27  SING N N 152 
M5G O27 HO27 SING N N 153 
M5G C47 C37  SING N N 154 
M5G O37 C37  SING N N 155 
M5G C37 H37  SING N N 156 
M5G O37 HO37 SING N N 157 
M5G O47 C47  SING N N 158 
M5G C47 C57  SING N N 159 
M5G C47 H47  SING N N 160 
M5G O47 HO47 SING N N 161 
M5G C67 C57  SING N N 162 
M5G C57 O57  SING N N 163 
M5G C57 H57  SING N N 164 
M5G C67 O67  SING N N 165 
M5G C67 H67  SING N N 166 
M5G C67 H67A SING N N 167 
M5G O67 HO67 SING N N 168 
# 
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 
M5G SMILES           ACDLabs              10.04 O=C(NC7C(O)C(O)C(OC7OC6C(O)C(O)C(OC6OC2C(O)C(OC(OC1C(OC(O)C(NC(=O)C)C1O)CO)C2O)COC5OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C5O)CO)CO)C 
M5G InChI            InChI                1.02b 
;InChI=1/C46H78N2O36/c1-10(54)47-19-28(63)36(16(7-53)74-40(19)71)81-45-35(70)38(83-46-39(31(66)24(59)15(6-52)78-46)84-41-20(48-11(2)55)27(62)21(56)12(3-49)75-41)26(61)18(80-45)9-73-43-34(69)37(82-44-33(68)30(65)23(58)14(5-51)77-44)25(60)17(79-43)8-72-42-32(67)29(64)22(57)13(4-50)76-42/h12-46,49-53,56-71H,3-9H2,1-2H3,(H,47,54)(H,48,55)/t12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29+,30+,31+,32+,33+,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45+,46-/m1/s1/f/h47-48H
;
M5G InChIKey         InChI                1.02b WALCJONWGDBPBL-KVRRSKEMDF 
M5G SMILES_CANONICAL CACTVS               3.341 
;CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]3O)[C@@H](O)[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7NC(C)=O)[C@@H]2O)[C@@H]1O
;
M5G SMILES           CACTVS               3.341 
CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O[CH]2O[CH](CO[CH]3O[CH](CO[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH](O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)[CH]3O)[CH](O)[CH](O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O[CH]7O[CH](CO)[CH](O)[CH](O)[CH]7NC(C)=O)[CH]2O)[CH]1O 
M5G SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 
;CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)NC(=O)C)O)O
;
M5G SMILES           "OpenEye OEToolkits" 1.5.0 CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)NC(=O)C)O)O 
# 
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 
M5G "SYSTEMATIC NAME" ACDLabs              10.04 
2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-alpha-D-glucopyranose 
M5G "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
;N-[(2S,3R,4R,5S,6R)-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxy-oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
;
# 
