data_CE5
# 
_chem_comp.id                                    CE5 
_chem_comp.name                                  CELLOPENTAOSE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             ATOMS 
_chem_comp.formula                               "C30 H52 O26" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2007-03-02 
_chem_comp.pdbx_modified_date                    2008-10-14 
_chem_comp.pdbx_ambiguous_flag                   ? 
_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                     CE5 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        "OpenEye/OEToolkits V1.4.2" 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        ? 
_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 
CE5 O2E  O2E  O 0 1 N N N 12.472 43.765 -9.560  8.195 -2.879 -0.158  O2E  CE5 1   
CE5 C2E  C2E  C 0 1 N N R 13.675 44.528 -9.426  7.157 -1.927 0.069   C2E  CE5 2   
CE5 C3E  C3E  C 0 1 N N S 14.784 43.907 -10.277 6.645 -2.070 1.502   C3E  CE5 3   
CE5 O3E  O3E  O 0 1 N N N 14.435 44.019 -11.659 7.654 -1.625 2.411   O3E  CE5 4   
CE5 C4E  C4E  C 0 1 N N S 16.092 44.658 -10.023 5.371 -1.254 1.720   C4E  CE5 5   
CE5 O4E  O4E  O 0 1 N N N 17.159 44.017 -10.727 4.805 -1.594 2.983   O4E  CE5 6   
CE5 C5E  C5E  C 0 1 N N R 16.393 44.667 -8.523  4.350 -1.536 0.615   C5E  CE5 7   
CE5 C6E  C6E  C 0 1 N N N 17.707 45.407 -8.267  3.118 -0.647 0.744   C6E  CE5 8   
CE5 O6E  O6E  O 0 1 N N N 18.000 45.390 -6.867  2.227 -0.954 -0.313  O6E  CE5 9   
CE5 O5E  O5E  O 0 1 N N N 15.321 45.321 -7.825  4.934 -1.280 -0.664  O5E  CE5 10  
CE5 C1E  C1E  C 0 1 N N S 14.090 44.591 -7.955  6.034 -2.142 -0.946  C1E  CE5 11  
CE5 O4D  O4D  O 0 1 N N N 13.056 45.276 -7.233  6.554 -1.851 -2.243  O4D  CE5 12  
CE5 C4D  C4D  C 0 1 N N S 13.214 45.081 -5.820  5.568 -2.032 -3.247  C4D  CE5 13  
CE5 C5D  C5D  C 0 1 N N R 11.993 44.360 -5.268  6.040 -3.103 -4.233  C5D  CE5 14  
CE5 O5D  O5D  O 0 1 N N N 12.122 44.157 -3.852  5.095 -3.236 -5.297  O5D  CE5 15  
CE5 C6D  C6D  C 0 1 N N N 11.846 43.002 -5.957  6.174 -4.467 -3.564  C6D  CE5 16  
CE5 O6D  O6D  O 0 1 N N N 13.010 42.213 -5.692  6.601 -5.405 -4.535  O6D  CE5 17  
CE5 C3D  C3D  C 0 1 N N R 13.345 46.432 -5.116  5.328 -0.703 -3.963  C3D  CE5 18  
CE5 O3D  O3D  O 0 1 N N N 14.550 47.080 -5.535  4.682 0.206  -3.071  O3D  CE5 19  
CE5 C2D  C2D  C 0 1 N N R 13.391 46.213 -3.605  4.460 -0.893 -5.207  C2D  CE5 20  
CE5 O2D  O2D  O 0 1 N N N 13.390 47.480 -2.942  4.459 0.313  -5.970  O2D  CE5 21  
CE5 C1D  C1D  C 0 1 N N S 12.171 45.408 -3.148  4.973 -2.045 -6.072  C1D  CE5 22  
CE5 O4C  O4C  O 0 1 N N N 12.322 45.188 -1.740  4.036 -2.251 -7.128  O4C  CE5 23  
CE5 C4C  C4C  C 0 1 N N S 11.132 44.674 -1.122  4.444 -3.307 -7.982  C4C  CE5 24  
CE5 C5C  C5C  C 0 1 N N R 11.057 45.271 0.276   4.631 -2.768 -9.402  C5C  CE5 25  
CE5 O5C  O5C  O 0 1 N N N 9.984  44.710 1.047   4.961 -3.837 -10.291 O5C  CE5 26  
CE5 C6C  C6C  C 0 1 N N N 10.874 46.787 0.176   5.761 -1.745 -9.474  C6C  CE5 27  
CE5 O6C  O6C  O 0 1 N N N 9.645  47.074 -0.496  5.883 -1.300 -10.812 O6C  CE5 28  
CE5 C3C  C3C  C 0 1 N N R 11.181 43.146 -1.061  3.389 -4.413 -7.957  C3C  CE5 29  
CE5 O3C  O3C  O 0 1 N N N 10.981 42.596 -2.367  3.397 -5.045 -6.676  O3C  CE5 30  
CE5 C2C  C2C  C 0 1 N N R 10.082 42.620 -0.137  3.658 -5.459 -9.039  C2C  CE5 31  
CE5 O2C  O2C  O 0 1 N N N 10.230 41.207 0.032   2.534 -6.333 -9.138  O2C  CE5 32  
CE5 C1C  C1C  C 0 1 N N S 10.193 43.302 1.226   3.918 -4.803 -10.395 C1C  CE5 33  
CE5 O4B  O4B  O 0 1 N N N 9.172  42.763 2.076   4.299 -5.828 -11.312 O4B  CE5 34  
CE5 C4B  C4B  C 0 1 N N S 9.355  43.185 3.433   4.555 -5.296 -12.602 C4B  CE5 35  
CE5 C5B  C5B  C 0 1 N N R 9.239  41.961 4.329   3.597 -5.933 -13.612 C5B  CE5 36  
CE5 O5B  O5B  O 0 1 N N N 9.176  42.298 5.722   3.899 -5.471 -14.929 O5B  CE5 37  
CE5 C6B  C6B  C 0 1 N N N 10.435 41.044 4.065   2.144 -5.570 -13.319 C6B  CE5 38  
CE5 O6B  O6B  O 0 1 N N N 10.357 39.898 4.916   1.321 -6.183 -14.295 O6B  CE5 39  
CE5 C3B  C3B  C 0 1 N N R 8.311  44.250 3.778   6.009 -5.576 -12.983 C3B  CE5 40  
CE5 O3B  O3B  O 0 1 N N N 8.652  45.478 3.130   6.873 -4.791 -12.160 O3B  CE5 41  
CE5 C2B  C2B  C 0 1 N N R 8.271  44.481 5.288   6.270 -5.244 -14.453 C2B  CE5 42  
CE5 O2B  O2B  O 0 1 N N N 7.192  45.364 5.607   7.556 -5.737 -14.826 O2B  CE5 43  
CE5 C1B  C1B  C 0 1 N N R 8.041  43.136 5.978   5.202 -5.857 -15.359 C1B  CE5 44  
CE5 O4A  O4A  O 0 1 N N N 7.893  43.348 7.388   5.432 -5.386 -16.687 O4A  CE5 45  
CE5 C4A  C4A  C 0 1 N N S 6.902  42.446 7.904   4.480 -5.917 -17.595 C4A  CE5 46  
CE5 C3A  C3A  C 0 1 N N R 7.556  41.163 8.419   3.687 -4.770 -18.221 C3A  CE5 47  
CE5 O3A  O3A  O 0 1 N N N 8.142  40.445 7.330   2.852 -4.173 -17.228 O3A  CE5 48  
CE5 C2A  C2A  C 0 1 N N R 6.501  40.289 9.099   2.821 -5.264 -19.380 C2A  CE5 49  
CE5 O2A  O2A  O 0 1 N N N 7.123  39.134 9.668   2.288 -4.141 -20.082 O2A  CE5 50  
CE5 C1A  C1A  C 0 1 N N R 5.812  41.097 10.201  3.626 -6.136 -20.343 C1A  CE5 51  
CE5 O1A  O1A  O 0 1 N N N 4.804  40.300 10.825  2.722 -6.671 -21.309 O1A  CE5 52  
CE5 O5A  O5A  O 0 1 N N N 5.188  42.251 9.621   4.265 -7.199 -19.640 O5A  CE5 53  
CE5 C5A  C5A  C 0 1 N N R 6.175  43.126 9.053   5.204 -6.729 -18.671 C5A  CE5 54  
CE5 C6A  C6A  C 0 1 N N N 5.484  44.388 8.535   5.907 -7.948 -18.083 C6A  CE5 55  
CE5 O6A  O6A  O 0 1 N N N 4.775  45.013 9.607   6.542 -8.653 -19.133 O6A  CE5 56  
CE5 HO2E HO2E H 0 0 N N N 12.106 43.596 -8.700  7.835 -3.537 -0.772  HO2E CE5 57  
CE5 H2E  H2E  H 0 1 N N N 13.497 45.554 -9.782  7.608 -0.937 -0.072  H2E  CE5 58  
CE5 H3E  H3E  H 0 1 N N N 14.908 42.847 -10.012 6.468 -3.125 1.745   H3E  CE5 59  
CE5 HO3E HO3E H 0 0 N N N 13.489 44.044 -11.746 7.233 -1.574 3.282   HO3E CE5 60  
CE5 H4E  H4E  H 0 1 N N N 15.995 45.694 -10.380 5.618 -0.185 1.745   H4E  CE5 61  
CE5 HO4E HO4E H 0 0 N N N 16.902 43.875 -11.631 3.904 -1.907 2.806   HO4E CE5 62  
CE5 H5E  H5E  H 0 1 N N N 16.486 43.633 -8.160  4.014 -2.580 0.658   H5E  CE5 63  
CE5 H6E1 1H6E H 0 0 N N N 18.520 44.911 -8.818  3.407 0.402  0.678   H6E1 CE5 64  
CE5 H6E2 2H6E H 0 0 N N N 17.614 46.448 -8.609  2.623 -0.833 1.698   H6E2 CE5 65  
CE5 HO6E HO6E H 0 0 N N N 18.941 45.386 -6.740  2.470 -0.388 -1.065  HO6E CE5 66  
CE5 H1E  H1E  H 0 1 N N N 14.235 43.575 -7.559  5.702 -3.187 -0.953  H1E  CE5 67  
CE5 H4D  H4D  H 0 1 N N N 14.120 44.483 -5.643  4.645 -2.354 -2.749  H4D  CE5 68  
CE5 H5D  H5D  H 0 1 N N N 11.105 44.979 -5.461  7.021 -2.838 -4.650  H5D  CE5 69  
CE5 H6D1 1H6D H 0 0 N N N 11.739 43.149 -7.042  5.211 -4.780 -3.161  H6D1 CE5 70  
CE5 H6D2 2H6D H 0 0 N N N 10.954 42.486 -5.572  6.910 -4.418 -2.762  H6D2 CE5 71  
CE5 HO6D HO6D H 0 0 N N N 13.467 42.038 -6.506  6.140 -5.189 -5.364  HO6D CE5 72  
CE5 H3D  H3D  H 0 1 N N N 12.481 47.062 -5.375  6.284 -0.234 -4.227  H3D  CE5 73  
CE5 HO3D HO3D H 0 0 N N N 14.523 47.224 -6.474  3.793 -0.148 -2.917  HO3D CE5 74  
CE5 H2D  H2D  H 0 1 N N N 14.306 45.656 -3.354  3.419 -1.076 -4.915  H2D  CE5 75  
CE5 HO2D HO2D H 0 0 N N N 13.390 47.346 -2.002  3.677 0.813  -5.691  HO2D CE5 76  
CE5 H1D  H1D  H 0 1 N N N 11.235 45.946 -3.357  5.937 -1.795 -6.533  H1D  CE5 77  
CE5 H4C  H4C  H 0 1 N N N 10.239 44.948 -1.703  5.395 -3.696 -7.596  H4C  CE5 78  
CE5 H5C  H5C  H 0 1 N N N 11.999 45.032 0.791   3.714 -2.275 -9.751  H5C  CE5 79  
CE5 H6C1 1H6C H 0 0 N N N 11.712 47.221 -0.389  6.699 -2.205 -9.160  H6C1 CE5 80  
CE5 H6C2 2H6C H 0 0 N N N 10.850 47.222 1.186   5.535 -0.895 -8.830  H6C2 CE5 81  
CE5 HO6C HO6C H 0 0 N N N 8.943  47.138 0.141   6.593 -1.822 -11.223 HO6C CE5 82  
CE5 H3C  H3C  H 0 1 N N N 12.167 42.847 -0.676  2.386 -3.985 -8.074  H3C  CE5 83  
CE5 HO3C HO3C H 0 0 N N N 10.937 43.299 -3.004  3.076 -4.385 -6.044  HO3C CE5 84  
CE5 H2C  H2C  H 0 1 N N N 9.100  42.837 -0.582  4.512 -6.085 -8.753  H2C  CE5 85  
CE5 HO2C HO2C H 0 0 N N N 10.263 40.787 -0.820  2.344 -6.430 -10.084 HO2C CE5 86  
CE5 H1C  H1C  H 0 1 N N N 11.182 43.133 1.677   3.007 -4.333 -10.788 H1C  CE5 87  
CE5 H4B  H4B  H 0 1 N N N 10.347 43.637 3.582   4.388 -4.213 -12.553 H4B  CE5 88  
CE5 H5B  H5B  H 0 1 N N N 8.295  41.451 4.086   3.679 -7.028 -13.584 H5B  CE5 89  
CE5 H6B1 1H6B H 0 0 N N N 10.423 40.721 3.014   2.015 -4.489 -13.365 H6B1 CE5 90  
CE5 H6B2 2H6B H 0 0 N N N 11.367 41.590 4.272   1.862 -5.933 -12.331 H6B2 CE5 91  
CE5 HO6B HO6B H 0 0 N N N 10.340 39.110 4.386   1.594 -5.831 -15.160 HO6B CE5 92  
CE5 H3B  H3B  H 0 1 N N N 7.324  43.903 3.437   6.264 -6.622 -12.772 H3B  CE5 93  
CE5 HO3B HO3B H 0 0 N N N 8.728  46.168 3.778   6.304 -4.341 -11.518 HO3B CE5 94  
CE5 H2B  H2B  H 0 1 N N N 9.218  44.927 5.626   6.303 -4.156 -14.592 H2B  CE5 95  
CE5 HO2B HO2B H 0 0 N N N 7.207  45.560 6.536   7.823 -5.239 -15.613 HO2B CE5 96  
CE5 H1B  H1B  H 0 1 N N N 7.130  42.655 5.594   5.284 -6.951 -15.381 H1B  CE5 97  
CE5 H4A  H4A  H 0 1 N N N 6.199  42.186 7.099   3.803 -6.564 -17.023 H4A  CE5 98  
CE5 H3A  H3A  H 0 1 N N N 8.341  41.423 9.144   4.365 -3.977 -18.557 H3A  CE5 99  
CE5 HO3A HO3A H 0 0 N N N 8.272  41.033 6.596   3.446 -3.815 -16.551 HO3A CE5 100 
CE5 H2A  H2A  H 0 1 N N N 5.757  39.967 8.356   1.960 -5.824 -18.994 H2A  CE5 101 
CE5 HO2A HO2A H 0 0 N N N 7.261  38.482 8.991   1.787 -4.499 -20.831 HO2A CE5 102 
CE5 H1A  H1A  H 0 1 N N N 6.561  41.402 10.947  4.371 -5.541 -20.886 H1A  CE5 103 
CE5 HO1A HO1A H 0 0 N N N 5.052  40.123 11.725  1.903 -6.877 -20.833 HO1A CE5 104 
CE5 H5A  H5A  H 0 1 N N N 6.910  43.383 9.830   5.965 -6.114 -19.171 H5A  CE5 105 
CE5 H6A1 1H6A H 0 0 N N N 6.238  45.084 8.138   5.179 -8.600 -17.600 H6A1 CE5 106 
CE5 H6A2 2H6A H 0 0 N N N 4.779  44.119 7.735   6.656 -7.631 -17.357 H6A2 CE5 107 
CE5 HO6A HO6A H 0 0 N N N 5.365  45.152 10.339  5.869 -9.222 -19.543 HO6A CE5 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 
CE5 O2E C2E  SING N N 1   
CE5 O2E HO2E SING N N 2   
CE5 C2E C3E  SING N N 3   
CE5 C2E C1E  SING N N 4   
CE5 C2E H2E  SING N N 5   
CE5 C3E O3E  SING N N 6   
CE5 C3E C4E  SING N N 7   
CE5 C3E H3E  SING N N 8   
CE5 O3E HO3E SING N N 9   
CE5 C4E O4E  SING N N 10  
CE5 C4E C5E  SING N N 11  
CE5 C4E H4E  SING N N 12  
CE5 O4E HO4E SING N N 13  
CE5 C5E C6E  SING N N 14  
CE5 C5E O5E  SING N N 15  
CE5 C5E H5E  SING N N 16  
CE5 C6E O6E  SING N N 17  
CE5 C6E H6E1 SING N N 18  
CE5 C6E H6E2 SING N N 19  
CE5 O6E HO6E SING N N 20  
CE5 O5E C1E  SING N N 21  
CE5 C1E O4D  SING N N 22  
CE5 C1E H1E  SING N N 23  
CE5 O4D C4D  SING N N 24  
CE5 C4D C5D  SING N N 25  
CE5 C4D C3D  SING N N 26  
CE5 C4D H4D  SING N N 27  
CE5 C5D C6D  SING N N 28  
CE5 C5D O5D  SING N N 29  
CE5 C5D H5D  SING N N 30  
CE5 O5D C1D  SING N N 31  
CE5 C6D O6D  SING N N 32  
CE5 C6D H6D1 SING N N 33  
CE5 C6D H6D2 SING N N 34  
CE5 O6D HO6D SING N N 35  
CE5 C3D O3D  SING N N 36  
CE5 C3D C2D  SING N N 37  
CE5 C3D H3D  SING N N 38  
CE5 O3D HO3D SING N N 39  
CE5 C2D C1D  SING N N 40  
CE5 C2D O2D  SING N N 41  
CE5 C2D H2D  SING N N 42  
CE5 O2D HO2D SING N N 43  
CE5 C1D O4C  SING N N 44  
CE5 C1D H1D  SING N N 45  
CE5 O4C C4C  SING N N 46  
CE5 C4C C3C  SING N N 47  
CE5 C4C C5C  SING N N 48  
CE5 C4C H4C  SING N N 49  
CE5 C5C C6C  SING N N 50  
CE5 C5C O5C  SING N N 51  
CE5 C5C H5C  SING N N 52  
CE5 O5C C1C  SING N N 53  
CE5 C6C O6C  SING N N 54  
CE5 C6C H6C1 SING N N 55  
CE5 C6C H6C2 SING N N 56  
CE5 O6C HO6C SING N N 57  
CE5 C3C O3C  SING N N 58  
CE5 C3C C2C  SING N N 59  
CE5 C3C H3C  SING N N 60  
CE5 O3C HO3C SING N N 61  
CE5 C2C O2C  SING N N 62  
CE5 C2C C1C  SING N N 63  
CE5 C2C H2C  SING N N 64  
CE5 O2C HO2C SING N N 65  
CE5 C1C O4B  SING N N 66  
CE5 C1C H1C  SING N N 67  
CE5 O4B C4B  SING N N 68  
CE5 C4B C3B  SING N N 69  
CE5 C4B C5B  SING N N 70  
CE5 C4B H4B  SING N N 71  
CE5 C5B C6B  SING N N 72  
CE5 C5B O5B  SING N N 73  
CE5 C5B H5B  SING N N 74  
CE5 O5B C1B  SING N N 75  
CE5 C6B O6B  SING N N 76  
CE5 C6B H6B1 SING N N 77  
CE5 C6B H6B2 SING N N 78  
CE5 O6B HO6B SING N N 79  
CE5 C3B O3B  SING N N 80  
CE5 C3B C2B  SING N N 81  
CE5 C3B H3B  SING N N 82  
CE5 O3B HO3B SING N N 83  
CE5 C2B O2B  SING N N 84  
CE5 C2B C1B  SING N N 85  
CE5 C2B H2B  SING N N 86  
CE5 O2B HO2B SING N N 87  
CE5 C1B O4A  SING N N 88  
CE5 C1B H1B  SING N N 89  
CE5 O4A C4A  SING N N 90  
CE5 C4A C3A  SING N N 91  
CE5 C4A C5A  SING N N 92  
CE5 C4A H4A  SING N N 93  
CE5 C3A O3A  SING N N 94  
CE5 C3A C2A  SING N N 95  
CE5 C3A H3A  SING N N 96  
CE5 O3A HO3A SING N N 97  
CE5 C2A O2A  SING N N 98  
CE5 C2A C1A  SING N N 99  
CE5 C2A H2A  SING N N 100 
CE5 O2A HO2A SING N N 101 
CE5 C1A O5A  SING N N 102 
CE5 C1A O1A  SING N N 103 
CE5 C1A H1A  SING N N 104 
CE5 O1A HO1A SING N N 105 
CE5 O5A C5A  SING N N 106 
CE5 C5A C6A  SING N N 107 
CE5 C5A H5A  SING N N 108 
CE5 C6A O6A  SING N N 109 
CE5 C6A H6A1 SING N N 110 
CE5 C6A H6A2 SING N N 111 
CE5 O6A HO6A 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 
CE5 SMILES           ACDLabs              10.04 O(C2C(OC(OC1C(O)C(O)C(O)OC1CO)C(O)C2O)CO)C5OC(C(OC4OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O)C(O)C5O)CO 
CE5 InChI            InChI                1.02b 
;InChI=1/C30H52O26/c31-1-6-11(36)12(37)18(43)27(49-6)54-23-8(3-33)51-29(20(45)14(23)39)56-25-10(5-35)52-30(21(46)16(25)41)55-24-9(4-34)50-28(19(44)15(24)40)53-22-7(2-32)48-26(47)17(42)13(22)38/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
;
CE5 InChIKey         InChI                1.02b FTNIPWXXIGNQQF-FFFJRYSIBZ 
CE5 SMILES_CANONICAL CACTVS               3.341 
OC[C@H]1O[C@@H](O[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)O[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](O)O[C@@H]5CO)[C@H](O)[C@@H](O)[C@@H]1O 
CE5 SMILES           CACTVS               3.341 OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O)[CH](O)[CH](O[CH]4CO)O[CH]5[CH](O)[CH](O)[CH](O)O[CH]5CO)[CH](O)[CH](O)[CH]1O 
CE5 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[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)O[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)O)CO)CO)CO)CO)O)O)O)O 
CE5 SMILES           "OpenEye OEToolkits" 1.5.0 C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)O)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 
CE5 "SYSTEMATIC NAME" ACDLabs              10.04 beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranose 
CE5 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
;(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
;
# 
