data_M5S
# 
_chem_comp.id                                    M5S 
_chem_comp.name                                  alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranose 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C30 H52 O26" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         alpha-Man-(1->3)(alpha-Man-[1->6])-alpha-Man-(1->6)(alpha-Man-[1->3])alpha-Man 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2008-04-23 
_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                        828.718 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     M5S 
_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        3CV5 
_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 
M5S O25  O25  O 0 1 N N N 20.185 75.503 12.295 7.901  3.345  -1.999 O25  M5S 1   
M5S C25  C25  C 0 1 N N S 21.225 74.896 11.526 7.016  2.229  -1.889 C25  M5S 2   
M5S C35  C35  C 0 1 N N S 21.230 75.481 10.106 7.710  1.099  -1.122 C35  M5S 3   
M5S O35  O35  O 0 1 N N N 19.881 75.621 9.653  8.927  0.750  -1.784 O35  M5S 4   
M5S C45  C45  C 0 1 N N S 21.939 76.842 10.002 8.019  1.576  0.300  C45  M5S 5   
M5S O45  O45  O 0 1 N N N 22.164 77.095 8.620  8.601  0.506  1.047  O45  M5S 6   
M5S C55  C55  C 0 1 N N R 23.282 76.862 10.765 6.718  2.022  0.974  C55  M5S 7   
M5S C65  C65  C 0 1 N N N 24.008 78.213 10.712 7.026  2.556  2.374  C65  M5S 8   
M5S O65  O65  O 0 1 N N N 24.416 78.469 9.363  5.803  2.864  3.046  O65  M5S 9   
M5S O05  O05  O 0 1 N N N 23.056 76.468 12.155 6.108  3.053  0.194  O05  M5S 10  
M5S C15  C15  C 0 1 N N R 22.582 75.087 12.225 5.754  2.650  -1.130 C15  M5S 11  
M5S O15  O15  O 0 1 N N N 23.494 74.205 11.534 4.847  1.548  -1.067 O15  M5S 12  
M5S C34  C34  C 0 1 N N S 24.449 73.586 12.417 3.548  1.891  -0.581 C34  M5S 13  
M5S C44  C44  C 0 1 N N R 24.543 72.115 11.973 2.503  0.964  -1.209 C44  M5S 14  
M5S O44  O44  O 0 1 N N N 23.260 71.499 12.061 2.479  1.162  -2.624 O44  M5S 15  
M5S C24  C24  C 0 1 N N S 25.814 74.312 12.389 3.511  1.726  0.942  C24  M5S 16  
M5S O24  O24  O 0 1 N N N 26.203 74.692 11.048 3.871  0.387  1.286  O24  M5S 17  
M5S C14  C14  C 0 1 N N S 26.881 73.390 13.003 2.095  2.020  1.445  C14  M5S 18  
M5S O14  O14  O 0 1 N N N 27.785 73.876 13.680 2.038  1.814  2.858  O14  M5S 19  
M5S O04  O04  O 0 1 N N N 26.858 72.035 12.801 1.169  1.145  0.798  O04  M5S 20  
M5S C54  C54  C 0 1 N N R 25.553 71.370 12.842 1.126  1.288  -0.623 C54  M5S 21  
M5S C64  C64  C 0 1 N N N 25.764 69.953 12.322 0.087  0.326  -1.202 C64  M5S 22  
M5S O12  O12  O 0 1 N N N 26.833 69.428 13.148 -1.215 0.700  -0.746 O12  M5S 23  
M5S C12  C12  C 0 1 N N S 26.673 67.993 13.238 -2.264 -0.139 -1.231 C12  M5S 24  
M5S O02  O02  O 0 1 N N N 27.239 67.317 12.071 -2.170 -1.425 -0.615 O02  M5S 25  
M5S C22  C22  C 0 1 N N S 27.414 67.463 14.468 -3.619 0.489  -0.892 C22  M5S 26  
M5S O22  O22  O 0 1 N N N 27.247 66.072 14.571 -4.668 -0.322 -1.423 O22  M5S 27  
M5S C32  C32  C 0 1 N N S 28.902 67.769 14.365 -3.763 0.581  0.631  C32  M5S 28  
M5S O13  O13  O 0 1 N N N 29.655 67.160 15.464 -5.054 1.098  0.958  O13  M5S 29  
M5S C13  C13  C 0 1 N N R 29.892 68.082 16.543 -5.100 2.523  1.064  C13  M5S 30  
M5S O03  O03  O 0 1 N N N 28.683 68.169 17.335 -4.945 3.102  -0.233 O03  M5S 31  
M5S C53  C53  C 0 1 N N R 28.309 66.892 17.930 -5.940 2.697  -1.176 C53  M5S 32  
M5S C63  C63  C 0 1 N N N 26.974 67.057 18.663 -5.659 3.353  -2.529 C63  M5S 33  
M5S C43  C43  C 0 1 N N S 29.428 66.357 18.845 -7.321 3.129  -0.675 C43  M5S 34  
M5S O43  O43  O 0 1 N N N 28.939 65.148 19.435 -8.323 2.674  -1.587 O43  M5S 35  
M5S C33  C33  C 0 1 N N S 30.743 66.182 18.046 -7.570 2.516  0.706  C33  M5S 36  
M5S O33  O33  O 0 1 N N N 31.849 65.753 18.903 -8.825 2.973  1.213  O33  M5S 37  
M5S C23  C23  C 0 1 N N S 31.065 67.556 17.384 -6.446 2.948  1.654  C23  M5S 38  
M5S O23  O23  O 0 1 N N N 31.391 68.550 18.409 -6.473 4.368  1.809  O23  M5S 39  
M5S C42  C42  C 0 1 N N R 29.519 67.266 13.045 -3.604 -0.819 1.233  C42  M5S 40  
M5S O42  O42  O 0 1 N N N 30.797 67.878 12.965 -3.664 -0.735 2.658  O42  M5S 41  
M5S C52  C52  C 0 1 N N R 28.652 67.611 11.806 -2.250 -1.396 0.811  C52  M5S 42  
M5S C62  C62  C 0 1 N N N 28.953 66.722 10.600 -2.109 -2.818 1.359  C62  M5S 43  
M5S O11  O11  O 0 1 N N N 30.364 66.715 10.248 -0.802 -3.315 1.064  O11  M5S 44  
M5S C11  C11  C 0 1 N N S 30.648 65.594 9.479  -0.565 -4.643 1.535  C11  M5S 45  
M5S O01  O01  O 0 1 N N N 29.829 65.450 8.251  -1.338 -5.566 0.766  O01  M5S 46  
M5S C51  C51  C 0 1 N N R 29.953 66.568 7.320  -1.057 -5.537 -0.635 C51  M5S 47  
M5S C61  C61  C 0 1 N N N 28.780 66.496 6.348  -1.958 -6.541 -1.357 C61  M5S 48  
M5S O61  O61  O 0 1 N N N 27.591 66.740 7.129  -3.321 -6.130 -1.237 O61  M5S 49  
M5S C41  C41  C 0 1 N N S 31.345 66.493 6.692  0.410  -5.909 -0.868 C41  M5S 50  
M5S O41  O41  O 0 1 N N N 31.553 67.558 5.726  0.709  -5.824 -2.262 O41  M5S 51  
M5S C31  C31  C 0 1 N N S 32.410 66.533 7.820  1.304  -4.936 -0.093 C31  M5S 52  
M5S O31  O31  O 0 1 N N N 33.615 66.104 7.220  2.672  -5.319 -0.244 O31  M5S 53  
M5S C21  C21  C 0 1 N N S 32.125 65.572 9.012  0.921  -4.978 1.390  C21  M5S 54  
M5S O21  O21  O 0 1 N N N 32.332 64.202 8.596  1.169  -6.286 1.910  O21  M5S 55  
M5S O63  O63  O 0 1 N N N 27.036 67.998 19.721 -4.423 2.861  -3.049 O63  M5S 56  
M5S HO25 HO25 H 0 0 N N N 20.487 75.638 13.186 7.526  4.100  -2.474 HO25 M5S 57  
M5S H25  H25  H 0 1 N N N 21.042 73.814 11.447 6.744  1.880  -2.885 H25  M5S 58  
M5S H35  H35  H 0 1 N N N 21.796 74.779 9.476  7.055  0.229  -1.082 H35  M5S 59  
M5S HO35 HO35 H 0 0 N N N 19.297 75.652 10.401 8.807  0.445  -2.694 HO35 M5S 60  
M5S H45  H45  H 0 1 N N N 21.306 77.617 10.459 8.715  2.414  0.260  H45  M5S 61  
M5S HO45 HO45 H 0 0 N N N 22.214 78.032 8.473  9.427  0.170  0.673  HO45 M5S 62  
M5S H55  H55  H 0 1 N N N 23.943 76.144 10.258 6.039  1.173  1.050  H55  M5S 63  
M5S H65  H65  H 0 1 N N N 23.331 79.010 11.051 7.572  1.801  2.939  H65  M5S 64  
M5S H65A H65A H 0 0 N N N 24.890 78.187 11.369 7.633  3.458  2.293  H65A M5S 65  
M5S HO65 HO65 H 0 0 N N N 23.649 78.526 8.805  5.923  3.208  3.942  HO65 M5S 66  
M5S H15  H15  H 0 1 N N N 22.502 74.857 13.298 5.279  3.482  -1.649 H15  M5S 67  
M5S H34  H34  H 0 1 N N N 24.128 73.650 13.467 3.322  2.925  -0.842 H34  M5S 68  
M5S H44  H44  H 0 1 N N N 24.883 72.075 10.928 2.758  -0.073 -0.991 H44  M5S 69  
M5S HO44 HO44 H 0 0 N N N 23.036 71.362 12.974 1.838  0.606  -3.088 HO44 M5S 70  
M5S H24  H24  H 0 1 N N N 25.722 75.239 12.974 4.213  2.422  1.401  H24  M5S 71  
M5S HO24 HO24 H 0 0 N N N 25.428 74.775 10.505 3.868  0.211  2.237  HO24 M5S 72  
M5S H54  H54  H 0 1 N N N 25.152 71.357 13.866 0.855  2.312  -0.877 H54  M5S 73  
M5S H64  H64  H 0 1 N N N 24.849 69.350 12.422 0.117  0.370  -2.290 H64  M5S 74  
M5S H64A H64A H 0 0 N N N 26.013 69.932 11.251 0.309  -0.690 -0.873 H64A M5S 75  
M5S H12  H12  H 0 1 N N N 25.593 67.791 13.300 -2.174 -0.246 -2.312 H12  M5S 76  
M5S H22  H22  H 0 1 N N N 26.997 67.957 15.358 -3.676 1.488  -1.324 H22  M5S 77  
M5S HO22 HO22 H 0 0 N N N 27.209 65.692 13.701 -4.636 -0.428 -2.383 HO22 M5S 78  
M5S H32  H32  H 0 1 N N N 28.975 68.866 14.410 -2.993 1.241  1.031  H32  M5S 79  
M5S H13  H13  H 0 1 N N N 30.148 69.084 16.169 -4.294 2.865  1.713  H13  M5S 80  
M5S H53  H53  H 0 1 N N N 28.177 66.136 17.142 -5.916 1.612  -1.286 H53  M5S 81  
M5S H63  H63  H 0 1 N N N 26.222 67.401 17.938 -6.465 3.115  -3.222 H63  M5S 82  
M5S H63A H63A H 0 0 N N N 26.714 66.082 19.102 -5.595 4.434  -2.402 H63A M5S 83  
M5S H43  H43  H 0 1 N N N 29.680 67.062 19.651 -7.359 4.216  -0.605 H43  M5S 84  
M5S HO43 HO43 H 0 0 N N N 28.831 64.487 18.761 -9.224 2.913  -1.332 HO43 M5S 85  
M5S H33  H33  H 0 1 N N N 30.616 65.396 17.287 -7.583 1.429  0.626  H33  M5S 86  
M5S HO33 HO33 H 0 0 N N N 32.637 65.660 18.381 -9.047 2.624  2.087  HO33 M5S 87  
M5S H23  H23  H 0 1 N N N 31.926 67.395 16.719 -6.586 2.472  2.625  H23  M5S 88  
M5S HO23 HO23 H 0 0 N N N 31.462 68.122 19.254 -5.784 4.713  2.394  HO23 M5S 89  
M5S H42  H42  H 0 1 N N N 29.585 66.168 13.044 -4.405 -1.464 0.871  H42  M5S 90  
M5S HO42 HO42 H 0 0 N N N 31.027 68.015 12.053 -3.570 -1.587 3.106  HO42 M5S 91  
M5S H52  H52  H 0 1 N N N 28.870 68.670 11.605 -1.449 -0.773 1.208  H52  M5S 92  
M5S H62  H62  H 0 1 N N N 28.650 65.693 10.842 -2.259 -2.808 2.438  H62  M5S 93  
M5S H62A H62A H 0 0 N N N 28.396 67.124 9.741  -2.856 -3.462 0.894  H62A M5S 94  
M5S H11  H11  H 0 1 N N N 30.414 64.766 10.164 -0.853 -4.713 2.584  H11  M5S 95  
M5S H51  H51  H 0 1 N N N 29.888 67.559 7.792  -1.244 -4.536 -1.023 H51  M5S 96  
M5S H61  H61  H 0 1 N N N 28.886 67.255 5.559  -1.683 -6.583 -2.411 H61  M5S 97  
M5S H61A H61A H 0 0 N N N 28.735 65.516 5.850  -1.835 -7.527 -0.910 H61A M5S 98  
M5S HO61 HO61 H 0 0 N N N 27.821 66.794 8.049  -3.950 -6.721 -1.673 HO61 M5S 99  
M5S H41  H41  H 0 1 N N N 31.440 65.547 6.139  0.588  -6.925 -0.518 H41  M5S 100 
M5S HO41 HO41 H 0 0 N N N 31.598 68.392 6.178  1.624  -6.047 -2.483 HO41 M5S 101 
M5S H31  H31  H 0 1 N N N 32.428 67.551 8.236  1.164  -3.926 -0.478 H31  M5S 102 
M5S HO31 HO31 H 0 0 N N N 33.486 66.008 6.284  3.296  -4.745 0.221  HO31 M5S 103 
M5S H21  H21  H 0 1 N N N 32.796 65.910 9.816  1.515  -4.248 1.941  H21  M5S 104 
M5S HO21 HO21 H 0 0 N N N 32.377 64.162 7.648  0.944  -6.387 2.845  HO21 M5S 105 
M5S HO63 HO63 H 0 0 N N N 27.050 67.539 20.553 -4.180 3.235  -3.908 HO63 M5S 106 
M5S H511 H511 H 0 0 N N N 25.823 73.141 12.833 1.836  3.055  1.218  H511 M5S 107 
M5S H521 H521 H 0 0 N N N 28.555 74.001 13.138 1.169  1.983  3.245  H521 M5S 108 
# 
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 
M5S O25 C25  SING N N 1   
M5S O25 HO25 SING N N 2   
M5S C25 C35  SING N N 3   
M5S C25 C15  SING N N 4   
M5S C25 H25  SING N N 5   
M5S C35 O35  SING N N 6   
M5S C35 C45  SING N N 7   
M5S C35 H35  SING N N 8   
M5S O35 HO35 SING N N 9   
M5S C45 O45  SING N N 10  
M5S C45 C55  SING N N 11  
M5S C45 H45  SING N N 12  
M5S O45 HO45 SING N N 13  
M5S C55 C65  SING N N 14  
M5S C55 O05  SING N N 15  
M5S C55 H55  SING N N 16  
M5S C65 O65  SING N N 17  
M5S C65 H65  SING N N 18  
M5S C65 H65A SING N N 19  
M5S O65 HO65 SING N N 20  
M5S O05 C15  SING N N 21  
M5S C15 O15  SING N N 22  
M5S C15 H15  SING N N 23  
M5S O15 C34  SING N N 24  
M5S C34 C44  SING N N 25  
M5S C34 C24  SING N N 26  
M5S C34 H34  SING N N 27  
M5S C44 O44  SING N N 28  
M5S C44 C54  SING N N 29  
M5S C44 H44  SING N N 30  
M5S O44 HO44 SING N N 31  
M5S C24 O24  SING N N 32  
M5S C24 C14  SING N N 33  
M5S C24 H24  SING N N 34  
M5S O24 HO24 SING N N 35  
M5S C14 O14  SING N N 36  
M5S C14 O04  SING N N 37  
M5S O04 C54  SING N N 38  
M5S C54 C64  SING N N 39  
M5S C54 H54  SING N N 40  
M5S C64 O12  SING N N 41  
M5S C64 H64  SING N N 42  
M5S C64 H64A SING N N 43  
M5S O12 C12  SING N N 44  
M5S C12 O02  SING N N 45  
M5S C12 C22  SING N N 46  
M5S C12 H12  SING N N 47  
M5S O02 C52  SING N N 48  
M5S C22 O22  SING N N 49  
M5S C22 C32  SING N N 50  
M5S C22 H22  SING N N 51  
M5S O22 HO22 SING N N 52  
M5S C32 O13  SING N N 53  
M5S C32 C42  SING N N 54  
M5S C32 H32  SING N N 55  
M5S O13 C13  SING N N 56  
M5S C13 O03  SING N N 57  
M5S C13 C23  SING N N 58  
M5S C13 H13  SING N N 59  
M5S O03 C53  SING N N 60  
M5S C53 C63  SING N N 61  
M5S C53 C43  SING N N 62  
M5S C53 H53  SING N N 63  
M5S C63 O63  SING N N 64  
M5S C63 H63  SING N N 65  
M5S C63 H63A SING N N 66  
M5S C43 O43  SING N N 67  
M5S C43 C33  SING N N 68  
M5S C43 H43  SING N N 69  
M5S O43 HO43 SING N N 70  
M5S C33 O33  SING N N 71  
M5S C33 C23  SING N N 72  
M5S C33 H33  SING N N 73  
M5S O33 HO33 SING N N 74  
M5S C23 O23  SING N N 75  
M5S C23 H23  SING N N 76  
M5S O23 HO23 SING N N 77  
M5S C42 O42  SING N N 78  
M5S C42 C52  SING N N 79  
M5S C42 H42  SING N N 80  
M5S O42 HO42 SING N N 81  
M5S C52 C62  SING N N 82  
M5S C52 H52  SING N N 83  
M5S C62 O11  SING N N 84  
M5S C62 H62  SING N N 85  
M5S C62 H62A SING N N 86  
M5S O11 C11  SING N N 87  
M5S C11 O01  SING N N 88  
M5S C11 C21  SING N N 89  
M5S C11 H11  SING N N 90  
M5S O01 C51  SING N N 91  
M5S C51 C61  SING N N 92  
M5S C51 C41  SING N N 93  
M5S C51 H51  SING N N 94  
M5S C61 O61  SING N N 95  
M5S C61 H61  SING N N 96  
M5S C61 H61A SING N N 97  
M5S O61 HO61 SING N N 98  
M5S C41 O41  SING N N 99  
M5S C41 C31  SING N N 100 
M5S C41 H41  SING N N 101 
M5S O41 HO41 SING N N 102 
M5S C31 O31  SING N N 103 
M5S C31 C21  SING N N 104 
M5S C31 H31  SING N N 105 
M5S O31 HO31 SING N N 106 
M5S C21 O21  SING N N 107 
M5S C21 H21  SING N N 108 
M5S O21 HO21 SING N N 109 
M5S O63 HO63 SING N N 110 
M5S C14 H511 SING N N 111 
M5S O14 H521 SING N N 112 
# 
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 
M5S SMILES           ACDLabs              10.04 O(CC2OC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C2O)C4OC(C(O)C(OC3OC(CO)C(O)C(O)C3O)C4O)COC5OC(CO)C(O)C(O)C5O 
M5S InChI            InChI                1.02b 
;InChI=1/C30H52O26/c31-1-6-11(34)16(39)19(42)27(51-6)48-5-10-15(38)25(56-30-21(44)18(41)13(36)8(3-33)53-30)23(46)28(54-10)49-4-9-14(37)24(22(45)26(47)50-9)55-29-20(43)17(40)12(35)7(2-32)52-29/h6-47H,1-5H2/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26-,27+,28+,29-,30-/m1/s1
;
M5S InChIKey         InChI                1.02b QKSKGIYZFBXTSY-SGGWLOBRBY 
M5S SMILES_CANONICAL CACTVS               3.341 
OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@@H](O)[C@@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](O)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O 
M5S SMILES           CACTVS               3.341 OC[CH]1O[CH](OC[CH]2O[CH](OC[CH]3O[CH](O)[CH](O)[CH](O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH]3O)[CH](O)[CH](O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)[CH]2O)[CH](O)[CH](O)[CH]1O 
M5S SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 
C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)OC[C@@H]3[C@H]([C@@H]([C@@H](C(O3)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O 
M5S SMILES           "OpenEye OEToolkits" 1.5.0 C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)O)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 
M5S "SYSTEMATIC NAME" ACDLabs              10.04 alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranose 
M5S "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
;(2R,3S,4S,5S,6R)-2-[(2R,3R,4S,5S)-2-[[(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]-3,5,6-trihydroxy-oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
;
# 
