data_TM5
# 
_chem_comp.id                                    TM5 
_chem_comp.name                                  THIO-MALTOPENTAOSE 
_chem_comp.type                                  SACCHARIDE 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C30 H52 O23 S3" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-07-08 
_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                        876.915 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     TM5 
_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        9CGT 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  EBI 
# 
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 
TM5 C11  C11  C 0 1 N N R 61.418 17.709 8.349  -2.227 -0.318 -9.771  C11  TM5 1   
TM5 S11  S11  S 0 1 N Y N 60.415 17.110 6.937  -0.652 -0.878 -10.474 S11  TM5 2   
TM5 C21  C21  C 0 1 N N R 62.371 16.655 8.936  -2.124 1.163  -9.406  C21  TM5 3   
TM5 O21  O21  O 0 1 N N N 62.963 15.896 7.886  -1.855 1.929  -10.582 O21  TM5 4   
TM5 C31  C31  C 0 1 N N R 61.641 15.716 9.904  -0.983 1.352  -8.400  C31  TM5 5   
TM5 O31  O31  O 0 1 N N N 62.585 14.859 10.536 -0.968 2.703  -7.934  O31  TM5 6   
TM5 C41  C41  C 0 1 N N S 60.904 16.533 10.963 -1.210 0.403  -7.217  C41  TM5 7   
TM5 O41  O41  O 0 1 N N N 60.166 15.652 11.849 -0.083 0.453  -6.340  O41  TM5 8   
TM5 C51  C51  C 0 1 N N R 59.952 17.523 10.283 -1.384 -1.022 -7.746  C51  TM5 9   
TM5 O51  O51  O 0 1 N N N 60.680 18.378 9.369  -2.522 -1.084 -8.604  O51  TM5 10  
TM5 C61  C61  C 0 1 N N N 59.318 18.391 11.360 -1.581 -1.981 -6.570  C61  TM5 11  
TM5 O61  O61  O 0 1 N N N 60.188 19.475 11.663 -1.670 -3.321 -7.059  O61  TM5 12  
TM5 C12  C12  C 0 1 N N S 60.336 15.895 13.228 -0.293 1.561  -5.462  C12  TM5 13  
TM5 C22  C22  C 0 1 N N R 61.727 15.465 13.696 1.015  1.895  -4.743  C22  TM5 14  
TM5 O22  O22  O 0 1 N N N 62.713 16.010 12.835 2.010  2.259  -5.703  O22  TM5 15  
TM5 C32  C32  C 0 1 N N R 61.863 13.947 13.704 1.485  0.663  -3.961  C32  TM5 16  
TM5 O32  O32  O 0 1 N N N 63.077 13.574 14.343 2.623  1.001  -3.166  O32  TM5 17  
TM5 C42  C42  C 0 1 N N S 60.701 13.243 14.405 0.342  0.196  -3.052  C42  TM5 18  
TM5 C52  C52  C 0 1 N N R 59.348 13.815 13.966 -0.916 -0.009 -3.896  C52  TM5 19  
TM5 O52  O52  O 0 1 N N N 59.349 15.258 14.033 -1.296 1.223  -4.506  O52  TM5 20  
TM5 C62  C62  C 0 1 N N N 58.226 13.343 14.871 -2.054 -0.506 -3.002  C62  TM5 21  
TM5 O62  O62  O 0 1 N N N 58.599 13.432 16.239 -3.228 -0.706 -3.792  O62  TM5 22  
TM5 C13  C13  C 0 1 N N R 59.940 10.470 14.868 1.919  -0.750 -0.968  C13  TM5 23  
TM5 S13  S13  S 0 1 N N N 60.899 11.542 13.738 0.802  -1.368 -2.257  S13  TM5 24  
TM5 C23  C23  C 0 1 N N R 60.507 9.047  14.883 2.537  -1.934 -0.220  C23  TM5 25  
TM5 O23  O23  O 0 1 N N N 61.908 9.097  15.100 1.505  -2.696 0.408   O23  TM5 26  
TM5 C33  C33  C 0 1 N N R 60.231 8.358  13.545 3.503  -1.402 0.844   C33  TM5 27  
TM5 O33  O33  O 0 1 N N N 60.697 7.015  13.585 4.612  -0.760 0.212   O33  TM5 28  
TM5 C43  C43  C 0 1 N N S 58.730 8.374  13.293 2.757  -0.392 1.723   C43  TM5 29  
TM5 O43  O43  O 0 1 N N N 58.424 7.750  12.027 1.736  -1.066 2.463   O43  TM5 30  
TM5 C53  C53  C 0 1 N N R 58.220 9.812  13.310 2.122  0.675  0.830   C53  TM5 31  
TM5 O53  O53  O 0 1 N N N 58.538 10.426 14.579 1.185  0.065  -0.057  O53  TM5 32  
TM5 C63  C63  C 0 1 N N N 56.711 9.842  13.077 3.215  1.371  0.017   C63  TM5 33  
TM5 O63  O63  O 0 1 N N N 56.088 8.865  13.898 4.184  1.934  0.904   O63  TM5 34  
TM5 C14  C14  C 0 1 N N S 57.576 6.636  12.159 2.327  -1.485 3.694   C14  TM5 35  
TM5 C24  C24  C 0 1 N N R 57.906 5.567  11.118 1.280  -2.217 4.538   C24  TM5 36  
TM5 O24  O24  O 0 1 N N N 59.314 5.405  11.042 0.823  -3.375 3.836   O24  TM5 37  
TM5 C34  C34  C 0 1 N N R 57.367 5.919  9.737  0.099  -1.274 4.796   C34  TM5 38  
TM5 O34  O34  O 0 1 N N N 57.484 4.792  8.879  -0.817 -1.887 5.705   O34  TM5 39  
TM5 C44  C44  C 0 1 N N S 55.903 6.350  9.802  0.634  0.026  5.404   C44  TM5 40  
TM5 C54  C54  C 0 1 N N R 55.729 7.446  10.850 1.731  0.589  4.498   C54  TM5 41  
TM5 O54  O54  O 0 1 N N N 56.194 6.973  12.129 2.806  -0.343 4.402   O54  TM5 42  
TM5 C64  C64  C 0 1 N N N 54.277 7.869  11.014 2.250  1.904  5.081   C64  TM5 43  
TM5 O64  O64  O 0 1 N N N 53.965 8.188  12.370 3.268  2.434  4.230   O64  TM5 44  
TM5 C15  C15  C 0 1 N N R 54.447 5.670  7.420  -1.567 0.579  7.007   C15  TM5 45  
TM5 S15  S15  S 0 1 N N N 55.452 7.019  8.161  -0.714 1.231  5.545   S15  TM5 46  
TM5 C25  C25  C 0 1 N N R 55.127 5.038  6.196  -2.810 1.427  7.289   C25  TM5 47  
TM5 O25  O25  O 0 1 N N N 56.433 4.586  6.527  -2.419 2.774  7.558   O25  TM5 48  
TM5 C35  C35  C 0 1 N N S 55.208 6.056  5.057  -3.542 0.850  8.506   C35  TM5 49  
TM5 O35  O35  O 0 1 N N N 55.742 5.433  3.895  -4.057 -0.443 8.186   O35  TM5 50  
TM5 C45  C45  C 0 1 N N S 53.813 6.602  4.751  -2.550 0.741  9.667   C45  TM5 51  
TM5 O45  O45  O 0 1 N N N 53.902 7.644  3.785  -2.146 2.049  10.075  O45  TM5 52  
TM5 C55  C55  C 0 1 N N R 53.167 7.136  6.032  -1.327 -0.054 9.207   C55  TM5 53  
TM5 O55  O55  O 0 1 N N N 53.149 6.103  7.041  -0.687 0.625  8.129   O55  TM5 54  
TM5 C65  C65  C 0 1 N N N 51.746 7.617  5.761  -1.769 -1.443 8.742   C65  TM5 55  
TM5 O65  O65  O 0 1 N N N 51.777 8.915  5.180  -2.429 -2.117 9.815   O65  TM5 56  
TM5 H11  H11  H 0 1 N N N 62.058 18.490 7.878  -3.021 -0.456 -10.505 H11  TM5 57  
TM5 HS11 HS11 H 0 0 N N N 59.826 17.761 6.574  -0.949 -2.167 -10.719 HS11 TM5 58  
TM5 H21  H21  H 0 1 N N N 63.165 17.191 9.505  -3.061 1.496  -8.961  H21  TM5 59  
TM5 HO21 HO21 H 0 0 N N N 63.551 15.244 8.248  -2.595 1.782  -11.187 HO21 TM5 60  
TM5 H31  H31  H 0 1 N N N 60.903 15.103 9.335  -0.031 1.119  -8.878  H31  TM5 61  
TM5 HO31 HO31 H 0 0 N N N 62.132 14.277 11.135 -0.822 3.263  -8.709  HO31 TM5 62  
TM5 H41  H41  H 0 1 N N N 61.647 17.102 11.567 -2.108 0.703  -6.676  H41  TM5 63  
TM5 H51  H51  H 0 1 N N N 59.177 16.958 9.713  -0.494 -1.311 -8.304  H51  TM5 64  
TM5 H611 1H61 H 0 0 N N N 58.296 18.735 11.077 -0.735 -1.898 -5.888  H611 TM5 65  
TM5 H612 2H61 H 0 0 N N N 59.042 17.804 12.267 -2.500 -1.726 -6.043  H612 TM5 66  
TM5 HO61 HO61 H 0 0 N N N 59.792 20.016 12.335 -1.793 -3.892 -6.288  HO61 TM5 67  
TM5 H12  H12  H 0 1 N N N 60.218 16.996 13.358 -0.620 2.425  -6.040  H12  TM5 68  
TM5 H22  H22  H 0 1 N N N 61.870 15.843 14.735 0.852  2.724  -4.055  H22  TM5 69  
TM5 HO22 HO22 H 0 0 N N N 63.577 15.742 13.125 1.675  3.036  -6.171  HO22 TM5 70  
TM5 H32  H32  H 0 1 N N N 61.857 13.624 12.636 1.748  -0.132 -4.657  H32  TM5 71  
TM5 HO32 HO32 H 0 0 N N N 63.161 12.627 14.348 3.315  1.290  -3.776  HO32 TM5 72  
TM5 H42  H42  H 0 1 N N N 60.715 13.335 15.516 0.151  0.950  -2.289  H42  TM5 73  
TM5 H52  H52  H 0 1 N N N 59.186 13.461 12.921 -0.714 -0.749 -4.671  H52  TM5 74  
TM5 H621 1H62 H 0 0 N N N 57.276 13.891 14.668 -1.765 -1.448 -2.536  H621 TM5 75  
TM5 H622 2H62 H 0 0 N N N 57.888 12.314 14.603 -2.259 0.234  -2.229  H622 TM5 76  
TM5 HO62 HO62 H 0 0 N N N 57.896 13.136 16.805 -3.919 -1.018 -3.192  HO62 TM5 77  
TM5 H13  H13  H 0 1 N N N 60.045 10.935 15.875 2.710  -0.158 -1.427  H13  TM5 78  
TM5 H23  H23  H 0 1 N N N 60.017 8.471  15.702 3.080  -2.565 -0.923  H23  TM5 79  
TM5 HO23 HO23 H 0 0 N N N 62.259 8.214  15.109 0.921  -3.010 -0.295  HO23 TM5 80  
TM5 H33  H33  H 0 1 N N N 60.762 8.895  12.725 3.861  -2.228 1.458   H33  TM5 81  
TM5 HO33 HO33 H 0 0 N N N 60.525 6.587  12.754 5.052  -1.429 -0.329  HO33 TM5 82  
TM5 H43  H43  H 0 1 N N N 58.222 7.797  14.100 3.457  0.077  2.413   H43  TM5 83  
TM5 H53  H53  H 0 1 N N N 58.717 10.382 12.491 1.609  1.410  1.450   H53  TM5 84  
TM5 H631 1H63 H 0 0 N N N 56.280 10.859 13.230 3.699  0.645  -0.636  H631 TM5 85  
TM5 H632 2H63 H 0 0 N N N 56.447 9.718  12.000 2.771  2.163  -0.585  H632 TM5 86  
TM5 HO63 HO63 H 0 0 N N N 55.149 8.883  13.753 4.853  2.362  0.352   HO63 TM5 87  
TM5 H14  H14  H 0 1 N N N 57.770 6.216  13.173 3.159  -2.158 3.486   H14  TM5 88  
TM5 H24  H24  H 0 1 N N N 57.415 4.619  11.441 1.722  -2.517 5.488   H24  TM5 89  
TM5 HO24 HO24 H 0 0 N N N 59.519 4.740  10.394 1.595  -3.939 3.695   HO24 TM5 90  
TM5 H34  H34  H 0 1 N N N 57.967 6.771  9.340  -0.407 -1.057 3.856   H34  TM5 91  
TM5 HO34 HO34 H 0 0 N N N 57.147 5.011  8.018  -1.128 -2.699 5.282   HO34 TM5 92  
TM5 H44  H44  H 0 1 N N N 55.256 5.483  10.075 1.047  -0.175 6.393   H44  TM5 93  
TM5 H54  H54  H 0 1 N N N 56.320 8.323  10.497 1.320  0.770  3.505   H54  TM5 94  
TM5 H641 1H64 H 0 0 N N N 54.020 8.711  10.330 1.430  2.618  5.154   H641 TM5 95  
TM5 H642 2H64 H 0 0 N N N 53.581 7.097  10.609 2.664  1.724  6.073   H642 TM5 96  
TM5 HO64 HO64 H 0 0 N N N 53.058 8.452  12.472 3.567  3.261  4.633   HO64 TM5 97  
TM5 H15  H15  H 0 1 N N N 54.355 4.904  8.225  -1.866 -0.451 6.823   H15  TM5 98  
TM5 H25  H25  H 0 1 N N N 54.517 4.164  5.867  -3.470 1.405  6.422   H25  TM5 99  
TM5 HO25 HO25 H 0 0 N N N 56.853 4.195  5.770  -1.957 3.094  6.771   HO25 TM5 100 
TM5 H35  H35  H 0 1 N N N 55.872 6.896  5.364  -4.363 1.511  8.786   H35  TM5 101 
TM5 HO35 HO35 H 0 0 N N N 55.792 6.065  3.187  -4.665 -0.327 7.444   HO35 TM5 102 
TM5 H45  H45  H 0 1 N N N 53.183 5.777  4.342  -3.023 0.228  10.504  H45  TM5 103 
TM5 HO45 HO45 H 0 0 N N N 53.035 7.983  3.594  -2.947 2.516  10.351  HO45 TM5 104 
TM5 H55  H55  H 0 1 N N N 53.770 8.000  6.396  -0.627 -0.156 10.037  H55  TM5 105 
TM5 H651 1H65 H 0 0 N N N 51.170 6.893  5.138  -0.896 -2.018 8.434   H651 TM5 106 
TM5 H652 2H65 H 0 0 N N N 51.110 7.583  6.676  -2.453 -1.343 7.899   H652 TM5 107 
TM5 HO65 HO65 H 0 0 N N N 50.891 9.214  5.011  -2.691 -2.986 9.480   HO65 TM5 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 
TM5 C11 S11  SING N N 1   
TM5 C11 C21  SING N N 2   
TM5 C11 O51  SING N N 3   
TM5 C11 H11  SING N N 4   
TM5 S11 HS11 SING N N 5   
TM5 C21 O21  SING N N 6   
TM5 C21 C31  SING N N 7   
TM5 C21 H21  SING N N 8   
TM5 O21 HO21 SING N N 9   
TM5 C31 O31  SING N N 10  
TM5 C31 C41  SING N N 11  
TM5 C31 H31  SING N N 12  
TM5 O31 HO31 SING N N 13  
TM5 C41 O41  SING N N 14  
TM5 C41 C51  SING N N 15  
TM5 C41 H41  SING N N 16  
TM5 O41 C12  SING N N 17  
TM5 C51 O51  SING N N 18  
TM5 C51 C61  SING N N 19  
TM5 C51 H51  SING N N 20  
TM5 C61 O61  SING N N 21  
TM5 C61 H611 SING N N 22  
TM5 C61 H612 SING N N 23  
TM5 O61 HO61 SING N N 24  
TM5 C12 C22  SING N N 25  
TM5 C12 O52  SING N N 26  
TM5 C12 H12  SING N N 27  
TM5 C22 O22  SING N N 28  
TM5 C22 C32  SING N N 29  
TM5 C22 H22  SING N N 30  
TM5 O22 HO22 SING N N 31  
TM5 C32 O32  SING N N 32  
TM5 C32 C42  SING N N 33  
TM5 C32 H32  SING N N 34  
TM5 O32 HO32 SING N N 35  
TM5 C42 C52  SING N N 36  
TM5 C42 S13  SING N N 37  
TM5 C42 H42  SING N N 38  
TM5 C52 O52  SING N N 39  
TM5 C52 C62  SING N N 40  
TM5 C52 H52  SING N N 41  
TM5 C62 O62  SING N N 42  
TM5 C62 H621 SING N N 43  
TM5 C62 H622 SING N N 44  
TM5 O62 HO62 SING N N 45  
TM5 C13 S13  SING N N 46  
TM5 C13 C23  SING N N 47  
TM5 C13 O53  SING N N 48  
TM5 C13 H13  SING N N 49  
TM5 C23 O23  SING N N 50  
TM5 C23 C33  SING N N 51  
TM5 C23 H23  SING N N 52  
TM5 O23 HO23 SING N N 53  
TM5 C33 O33  SING N N 54  
TM5 C33 C43  SING N N 55  
TM5 C33 H33  SING N N 56  
TM5 O33 HO33 SING N N 57  
TM5 C43 O43  SING N N 58  
TM5 C43 C53  SING N N 59  
TM5 C43 H43  SING N N 60  
TM5 O43 C14  SING N N 61  
TM5 C53 O53  SING N N 62  
TM5 C53 C63  SING N N 63  
TM5 C53 H53  SING N N 64  
TM5 C63 O63  SING N N 65  
TM5 C63 H631 SING N N 66  
TM5 C63 H632 SING N N 67  
TM5 O63 HO63 SING N N 68  
TM5 C14 C24  SING N N 69  
TM5 C14 O54  SING N N 70  
TM5 C14 H14  SING N N 71  
TM5 C24 O24  SING N N 72  
TM5 C24 C34  SING N N 73  
TM5 C24 H24  SING N N 74  
TM5 O24 HO24 SING N N 75  
TM5 C34 O34  SING N N 76  
TM5 C34 C44  SING N N 77  
TM5 C34 H34  SING N N 78  
TM5 O34 HO34 SING N N 79  
TM5 C44 C54  SING N N 80  
TM5 C44 S15  SING N N 81  
TM5 C44 H44  SING N N 82  
TM5 C54 O54  SING N N 83  
TM5 C54 C64  SING N N 84  
TM5 C54 H54  SING N N 85  
TM5 C64 O64  SING N N 86  
TM5 C64 H641 SING N N 87  
TM5 C64 H642 SING N N 88  
TM5 O64 HO64 SING N N 89  
TM5 C15 S15  SING N N 90  
TM5 C15 C25  SING N N 91  
TM5 C15 O55  SING N N 92  
TM5 C15 H15  SING N N 93  
TM5 C25 O25  SING N N 94  
TM5 C25 C35  SING N N 95  
TM5 C25 H25  SING N N 96  
TM5 O25 HO25 SING N N 97  
TM5 C35 O35  SING N N 98  
TM5 C35 C45  SING N N 99  
TM5 C35 H35  SING N N 100 
TM5 O35 HO35 SING N N 101 
TM5 C45 O45  SING N N 102 
TM5 C45 C55  SING N N 103 
TM5 C45 H45  SING N N 104 
TM5 O45 HO45 SING N N 105 
TM5 C55 O55  SING N N 106 
TM5 C55 C65  SING N N 107 
TM5 C55 H55  SING N N 108 
TM5 C65 O65  SING N N 109 
TM5 C65 H651 SING N N 110 
TM5 C65 H652 SING N N 111 
TM5 O65 HO65 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 
TM5 SMILES           ACDLabs              10.04 S(C2C(OC(OC1C(O)C(O)C(S)OC1CO)C(O)C2O)CO)C5OC(C(OC4OC(CO)C(SC3OC(CO)C(O)C(O)C3O)C(O)C4O)C(O)C5O)CO 
TM5 InChI            InChI                1.02b 
;InChI=1/C30H52O23S3/c31-1-6-11(36)12(37)20(45)29(50-6)55-24-9(4-34)48-27(18(43)15(24)40)53-23-8(3-33)51-30(21(46)14(23)39)56-25-10(5-35)47-26(17(42)16(25)41)52-22-7(2-32)49-28(54)19(44)13(22)38/h6-46,54H,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
;
TM5 InChIKey         InChI                1.02b HQMKYAZGNUQLJB-DCFYERRSBK 
TM5 SMILES_CANONICAL CACTVS               3.341 
OC[C@H]1O[C@H](S[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)S[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@H]5[C@H](O)[C@@H](O)[C@@H](S)O[C@@H]5CO)[C@H](O)[C@@H](O)[C@@H]1O 
TM5 SMILES           CACTVS               3.341 OC[CH]1O[CH](S[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O[CH]3CO)S[CH]4[CH](O)[CH](O)[CH](O[CH]4CO)O[CH]5[CH](O)[CH](O)[CH](S)O[CH]5CO)[CH](O)[CH](O)[CH]1O 
TM5 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)S[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)S)CO)CO)CO)CO)O)O)O)O 
TM5 SMILES           "OpenEye OEToolkits" 1.5.0 C(C1C(C(C(C(O1)SC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)SC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)S)CO)CO)CO)CO)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 
TM5 "SYSTEMATIC NAME" ACDLabs              10.04 alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranosyl-(1->4)-1-thio-alpha-D-glucopyranose 
TM5 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
;(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-sulfanyl-oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfanyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
;
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