data_PRDCC_900010
# 
_chem_comp.id                                    PRD_900010 
_chem_comp.name                                  MALTOTETRAOSE 
_chem_comp.type                                  saccharide 
_chem_comp.formula                               "C24 H42 O21" 
_chem_comp.pdbx_release_status                   REF_ONLY 
_chem_comp.formula_weight                        666.578 
_chem_comp.pdbx_type                             ? 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    ? 
_chem_comp.pdbx_initial_date                     ? 
_chem_comp.pdbx_modified_date                    ? 
_chem_comp.pdbx_ambiguous_flag                   ? 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     ? 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   ? 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   ? 
_chem_comp.pdbx_model_coordinates_db_code        ? 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_pcm                              ? 
_chem_comp.pdbx_processing_site                  ? 
# 
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_comp_id 
_chem_comp_atom.pdbx_residue_numbering 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_polymer_type 
_chem_comp_atom.pdbx_ref_id 
_chem_comp_atom.pdbx_component_id 
_chem_comp_atom.pdbx_ordinal 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
PRD_900010 C41  C22 C 0 1 N N S -12.099 1.673  -16.272 -7.362 -2.342 -0.096 GLC 1 C1  polymer 1 1 1  ? ? ? 
PRD_900010 C42  C21 C 0 1 N N R -11.738 0.506  -17.264 -7.422 -1.325 1.047  GLC 1 C2  polymer 1 1 2  ? ? ? 
PRD_900010 C43  C20 C 0 1 N N R -12.470 -0.800 -16.781 -6.585 -0.098 0.672  GLC 1 C3  polymer 1 1 3  ? ? ? 
PRD_900010 C44  C19 C 0 1 N N S -11.934 -1.099 -15.353 -5.153 -0.544 0.366  GLC 1 C4  polymer 1 1 4  ? ? ? 
PRD_900010 C45  C23 C 0 1 N N R -12.132 0.161  -14.459 -5.181 -1.591 -0.751 GLC 1 C5  polymer 1 1 5  ? ? ? 
PRD_900010 C46  C24 C 0 1 N N N -11.381 0.037  -13.156 -3.759 -2.086 -1.022 GLC 1 C6  polymer 1 1 6  ? ? ? 
PRD_900010 O41  O19 O 0 1 N N N -13.506 1.937  -16.108 -7.935 -1.769 -1.274 GLC 1 O1  polymer 1 1 7  ? ? ? 
PRD_900010 O42  O18 O 0 1 N N N -11.885 0.894  -18.636 -8.778 -0.930 1.265  GLC 1 O2  polymer 1 1 8  ? ? ? 
PRD_900010 O43  O17 O 0 1 N N N -12.426 -1.961 -17.650 -6.575 0.827  1.762  GLC 1 O3  polymer 1 1 9  ? ? ? 
PRD_900010 O44  O16 O 0 1 N N N -12.505 -2.266 -14.680 -4.381 0.582  -0.055 GLC 1 O4  polymer 1 1 10 ? ? ? 
PRD_900010 O45  O20 O 0 1 N N N -11.650 1.376  -14.988 -6.000 -2.691 -0.351 GLC 1 O5  polymer 1 1 11 ? ? ? 
PRD_900010 O46  O21 O 0 1 N N N -9.952  0.054  -13.289 -3.772 -2.991 -2.128 GLC 1 O6  polymer 1 1 12 ? ? ? 
PRD_900010 C31  C16 C 0 1 N N R -12.153 -3.604 -15.047 -3.819 1.337  1.021  GLC 2 C1  polymer 1 1 13 ? ? ? 
PRD_900010 C32  C15 C 0 1 N N R -13.302 -4.618 -14.928 -3.285 2.668  0.486  GLC 2 C2  polymer 1 1 14 ? ? ? 
PRD_900010 C33  C14 C 0 1 N N R -13.586 -5.015 -13.478 -2.166 2.393  -0.522 GLC 2 C3  polymer 1 1 15 ? ? ? 
PRD_900010 C34  C13 C 0 1 N N S -12.302 -5.502 -12.797 -1.075 1.559  0.157  GLC 2 C4  polymer 1 1 16 ? ? ? 
PRD_900010 C35  C17 C 0 1 N N R -11.273 -4.397 -12.928 -1.693 0.271  0.705  GLC 2 C5  polymer 1 1 17 ? ? ? 
PRD_900010 C36  C18 C 0 1 N N N -9.957  -4.798 -12.244 -0.621 -0.538 1.438  GLC 2 C6  polymer 1 1 18 ? ? ? 
PRD_900010 O32  O13 O 0 1 N N N -14.454 -4.099 -15.569 -4.342 3.384  -0.156 GLC 2 O2  polymer 1 1 19 ? ? ? 
PRD_900010 O33  O12 O 0 1 N N N -14.557 -6.041 -13.381 -1.612 3.631  -0.972 GLC 2 O3  polymer 1 1 20 ? ? ? 
PRD_900010 O34  O11 O 0 1 N N N -12.610 -5.837 -11.398 -0.060 1.235  -0.795 GLC 2 O4  polymer 1 1 21 ? ? ? 
PRD_900010 O35  O14 O 0 1 N N N -11.055 -4.017 -14.274 -2.748 0.598  1.612  GLC 2 O5  polymer 1 1 22 ? ? ? 
PRD_900010 O36  O15 O 0 1 N N N -9.387  -5.944 -12.803 -1.174 -1.784 1.867  GLC 2 O6  polymer 1 1 23 ? ? ? 
PRD_900010 C21  C10 C 0 1 N N R -12.373 -7.128 -10.858 0.936  2.249  -0.952 GLC 3 C1  polymer 1 1 24 ? ? ? 
PRD_900010 C22  C9  C 0 1 N N R -13.570 -7.632 -10.083 1.783  1.944  -2.190 GLC 3 C2  polymer 1 1 25 ? ? ? 
PRD_900010 C23  C8  C 0 1 N N R -13.683 -6.911 -8.729  2.506  0.609  -1.988 GLC 3 C3  polymer 1 1 26 ? ? ? 
PRD_900010 C24  C7  C 0 1 N N S -12.338 -6.911 -7.980  3.349  0.685  -0.711 GLC 3 C4  polymer 1 1 27 ? ? ? 
PRD_900010 C25  C11 C 0 1 N N R -11.267 -6.329 -8.891  2.442  1.039  0.470  GLC 3 C5  polymer 1 1 28 ? ? ? 
PRD_900010 C26  C12 C 0 1 N N N -9.916  -6.387 -8.219  3.287  1.176  1.739  GLC 3 C6  polymer 1 1 29 ? ? ? 
PRD_900010 O22  O8  O 0 1 N N N -14.721 -7.477 -10.909 0.938  1.860  -3.339 GLC 3 O2  polymer 1 1 30 ? ? ? 
PRD_900010 O23  O7  O 0 1 N N N -14.700 -7.530 -7.958  3.357  0.352  -3.107 GLC 3 O3  polymer 1 1 31 ? ? ? 
PRD_900010 O24  O6  O 0 1 N N N -12.387 -6.121 -6.791  3.971  -0.579 -0.474 GLC 3 O4  polymer 1 1 32 ? ? ? 
PRD_900010 O25  O9  O 0 1 N N N -11.194 -7.058 -10.093 1.776  2.275  0.204  GLC 3 O5  polymer 1 1 33 ? ? ? 
PRD_900010 O26  O10 O 0 1 N N N -9.457  -7.705 -8.141  2.431  1.417  2.857  GLC 3 O6  polymer 1 1 34 ? ? ? 
PRD_900010 C11  C4  C 0 1 N N R -11.775 -6.470 -5.552  5.203  -0.762 -1.175 GLC 4 C1  polymer 1 1 35 ? ? ? 
PRD_900010 C12  C3  C 0 1 N N R -12.894 -6.830 -4.588  5.668  -2.212 -1.020 GLC 4 C2  polymer 1 1 36 ? ? ? 
PRD_900010 C13  C2  C 0 1 N N S -13.671 -5.593 -4.142  5.929  -2.500 0.462  GLC 4 C3  polymer 1 1 37 ? ? ? 
PRD_900010 C14  C1  C 0 1 N N S -12.713 -4.516 -3.631  6.960  -1.499 0.992  GLC 4 C4  polymer 1 1 38 ? ? ? 
PRD_900010 C15  C5  C 0 1 N N R -11.713 -4.214 -4.755  6.446  -0.076 0.759  GLC 4 C5  polymer 1 1 39 ? ? ? 
PRD_900010 C16  C6  C 0 1 N N N -10.737 -3.136 -4.373  7.498  0.930  1.231  GLC 4 C6  polymer 1 1 40 ? ? ? 
PRD_900010 O12  O3  O 0 1 N N N -13.751 -7.809 -5.199  4.655  -3.094 -1.507 GLC 4 O2  polymer 1 1 41 ? ? ? 
PRD_900010 O13  O2  O 0 1 N N N -14.631 -5.881 -3.123  6.433  -3.829 0.609  GLC 4 O3  polymer 1 1 42 ? ? ? 
PRD_900010 O14  O1  O 0 1 N N N -13.436 -3.365 -3.210  7.157  -1.712 2.391  GLC 4 O4  polymer 1 1 43 ? ? ? 
PRD_900010 O15  O4  O 0 1 N N N -10.994 -5.370 -5.112  6.193  0.115  -0.635 GLC 4 O5  polymer 1 1 44 ? ? ? 
PRD_900010 O16  O5  O 0 1 N N N -9.867  -3.618 -3.380  6.974  2.254  1.122  GLC 4 O6  polymer 1 1 45 ? ? ? 
PRD_900010 H411 H37 H 0 0 N N N -11.602 2.583  -16.639 -7.921 -3.235 0.182  GLC 1 H1  polymer 1 1 46 ? ? ? 
PRD_900010 H421 H35 H 0 0 N N N -10.667 0.312  -17.103 -7.022 -1.775 1.956  GLC 1 H2  polymer 1 1 47 ? ? ? 
PRD_900010 H431 H33 H 0 0 N N N -13.528 -0.524 -16.658 -7.014 0.381  -0.208 GLC 1 H3  polymer 1 1 48 ? ? ? 
PRD_900010 H441 H32 H 0 0 N N N -10.849 -1.257 -15.445 -4.706 -0.978 1.260  GLC 1 H4  polymer 1 1 49 ? ? ? 
PRD_900010 H451 H39 H 0 0 N N N -13.205 0.251  -14.235 -5.589 -1.145 -1.658 GLC 1 H5  polymer 1 1 50 ? ? ? 
PRD_900010 H461 H40 H 0 0 N N N -11.676 0.876  -12.508 -3.116 -1.237 -1.256 GLC 1 H61 polymer 1 1 51 ? ? ? 
PRD_900010 H462 H41 H 0 0 N N N -11.671 -0.912 -12.681 -3.378 -2.598 -0.139 GLC 1 H62 polymer 1 1 52 ? ? ? 
PRD_900010 HO41 H38 H 0 0 N N N -13.625 2.653  -15.495 -7.931 -2.359 -2.040 GLC 1 HO1 polymer 1 1 53 ? ? ? 
PRD_900010 HO42 H36 H 0 0 N N N -11.396 1.693  -18.794 -9.366 -1.659 1.506  GLC 1 HO2 polymer 1 1 54 ? ? ? 
PRD_900010 HO43 H34 H 0 0 N N N -12.902 -2.677 -17.246 -7.451 1.151  2.011  GLC 1 HO3 polymer 1 1 55 ? ? ? 
PRD_900010 HO46 H42 H 0 0 N N N -9.553  -0.028 -12.431 -2.902 -3.346 -2.357 GLC 1 HO6 polymer 1 1 56 ? ? ? 
PRD_900010 H311 H27 H 0 0 N N N -11.848 -3.596 -16.104 -4.587 1.527  1.770  GLC 2 H1  polymer 1 1 57 ? ? ? 
PRD_900010 H321 H25 H 0 0 N N N -12.986 -5.529 -15.458 -2.893 3.261  1.313  GLC 2 H2  polymer 1 1 58 ? ? ? 
PRD_900010 H331 H23 H 0 0 N N N -13.938 -4.121 -12.942 -2.568 1.843  -1.374 GLC 2 H3  polymer 1 1 59 ? ? ? 
PRD_900010 H341 H22 H 0 0 N N N -11.938 -6.398 -13.322 -0.637 2.131  0.976  GLC 2 H4  polymer 1 1 60 ? ? ? 
PRD_900010 H351 H28 H 0 0 N N N -11.663 -3.526 -12.382 -2.093 -0.320 -0.119 GLC 2 H5  polymer 1 1 61 ? ? ? 
PRD_900010 H361 H30 H 0 0 N N N -10.157 -4.988 -11.179 -0.272 0.023  2.305  GLC 2 H61 polymer 1 1 62 ? ? ? 
PRD_900010 H362 H29 H 0 0 N N N -9.243  -3.967 -12.340 0.217  -0.724 0.766  GLC 2 H62 polymer 1 1 63 ? ? ? 
PRD_900010 HO32 H26 H 0 0 N N N -15.166 -4.724 -15.497 -5.086 3.593  0.425  GLC 2 HO2 polymer 1 1 64 ? ? ? 
PRD_900010 HO33 H24 H 0 0 N N N -14.702 -6.255 -12.467 -2.249 4.210  -1.412 GLC 2 HO3 polymer 1 1 65 ? ? ? 
PRD_900010 HO36 H31 H 0 0 N N N -8.579  -6.150 -12.348 -0.548 -2.350 2.340  GLC 2 HO6 polymer 1 1 66 ? ? ? 
PRD_900010 H211 H17 H 0 0 N N N -12.208 -7.827 -11.691 0.452  3.218  -1.071 GLC 3 H1  polymer 1 1 67 ? ? ? 
PRD_900010 H221 H15 H 0 0 N N N -13.415 -8.702 -9.879  2.516  2.737  -2.333 GLC 3 H2  polymer 1 1 68 ? ? ? 
PRD_900010 H231 H13 H 0 0 N N N -13.959 -5.865 -8.926  1.774  -0.193 -1.895 GLC 3 H3  polymer 1 1 69 ? ? ? 
PRD_900010 H241 H12 H 0 0 N N N -12.071 -7.950 -7.735  4.115  1.452  -0.825 GLC 3 H4  polymer 1 1 70 ? ? ? 
PRD_900010 H251 H18 H 0 0 N N N -11.515 -5.278 -9.098  1.703  0.250  0.610  GLC 3 H5  polymer 1 1 71 ? ? ? 
PRD_900010 H261 H19 H 0 0 N N N -9.198  -5.789 -8.800  3.849  0.257  1.902  GLC 3 H61 polymer 1 1 72 ? ? ? 
PRD_900010 H262 H20 H 0 0 N N N -10.000 -5.974 -7.203  3.980  2.010  1.625  GLC 3 H62 polymer 1 1 73 ? ? ? 
PRD_900010 HO22 H16 H 0 0 N N N -15.489 -7.787 -10.444 0.449  2.673  -3.527 GLC 3 HO2 polymer 1 1 74 ? ? ? 
PRD_900010 HO23 H14 H 0 0 N N N -14.775 -7.089 -7.120  2.888  0.291  -3.951 GLC 3 HO3 polymer 1 1 75 ? ? ? 
PRD_900010 HO26 H21 H 0 0 N N N -8.608  -7.720 -7.716  2.900  1.515  3.697  GLC 3 HO6 polymer 1 1 76 ? ? ? 
PRD_900010 H111 H7  H 0 0 N N N -11.134 -7.353 -5.689  5.056  -0.538 -2.231 GLC 4 H1  polymer 1 1 77 ? ? ? 
PRD_900010 H121 H5  H 0 0 N N N -12.434 -7.274 -3.693  6.586  -2.363 -1.587 GLC 4 H2  polymer 1 1 78 ? ? ? 
PRD_900010 H131 H3  H 0 0 N N N -14.192 -5.188 -5.022  5.000  -2.399 1.024  GLC 4 H3  polymer 1 1 79 ? ? ? 
PRD_900010 H141 H2  H 0 0 N N N -12.154 -4.931 -2.779  7.905  -1.636 0.466  GLC 4 H4  polymer 1 1 80 ? ? ? 
PRD_900010 H151 H8  H 0 0 N N N -12.286 -3.860 -5.625  5.523  0.074  1.319  GLC 4 H5  polymer 1 1 81 ? ? ? 
PRD_900010 H161 H9  H 0 0 N N N -10.154 -2.839 -5.258  7.756  0.725  2.270  GLC 4 H61 polymer 1 1 82 ? ? ? 
PRD_900010 H162 H10 H 0 0 N N N -11.286 -2.265 -3.987  8.391  0.840  0.611  GLC 4 H62 polymer 1 1 83 ? ? ? 
PRD_900010 HO12 H6  H 0 0 N N N -14.451 -8.036 -4.599  4.439  -2.967 -2.441 GLC 4 HO2 polymer 1 1 84 ? ? ? 
PRD_900010 HO13 H4  H 0 0 N N N -15.086 -5.083 -2.881  5.831  -4.516 0.293  GLC 4 HO3 polymer 1 1 85 ? ? ? 
PRD_900010 HO14 H1  H 0 0 N N N -14.039 -3.605 -2.516  7.481  -2.596 2.613  GLC 4 HO4 polymer 1 1 86 ? ? ? 
PRD_900010 HO16 H11 H 0 0 N N N -9.251  -2.936 -3.140  7.588  2.945  1.404  GLC 4 HO6 polymer 1 1 87 ? ? ? 
# 
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 
PRD_900010 O42 C42  SING N N 1  
PRD_900010 O43 C43  SING N N 2  
PRD_900010 C42 C43  SING N N 3  
PRD_900010 C42 C41  SING N N 4  
PRD_900010 C43 C44  SING N N 5  
PRD_900010 C41 O41  SING N N 6  
PRD_900010 C41 O45  SING N N 7  
PRD_900010 O32 C32  SING N N 8  
PRD_900010 C44 O44  SING N N 9  
PRD_900010 C44 C45  SING N N 10 
PRD_900010 C31 C32  SING N N 11 
PRD_900010 C31 O44  SING N N 12 
PRD_900010 C31 O35  SING N N 13 
PRD_900010 O45 C45  SING N N 14 
PRD_900010 C32 C33  SING N N 15 
PRD_900010 C45 C46  SING N N 16 
PRD_900010 O35 C35  SING N N 17 
PRD_900010 C33 O33  SING N N 18 
PRD_900010 C33 C34  SING N N 19 
PRD_900010 O46 C46  SING N N 20 
PRD_900010 C35 C34  SING N N 21 
PRD_900010 C35 C36  SING N N 22 
PRD_900010 O36 C36  SING N N 23 
PRD_900010 C34 O34  SING N N 24 
PRD_900010 O34 C21  SING N N 25 
PRD_900010 O22 C22  SING N N 26 
PRD_900010 C21 O25  SING N N 27 
PRD_900010 C21 C22  SING N N 28 
PRD_900010 O25 C25  SING N N 29 
PRD_900010 C22 C23  SING N N 30 
PRD_900010 C25 C26  SING N N 31 
PRD_900010 C25 C24  SING N N 32 
PRD_900010 C23 C24  SING N N 33 
PRD_900010 C23 O23  SING N N 34 
PRD_900010 C26 O26  SING N N 35 
PRD_900010 C24 O24  SING N N 36 
PRD_900010 O24 C11  SING N N 37 
PRD_900010 C11 O15  SING N N 38 
PRD_900010 C11 C12  SING N N 39 
PRD_900010 O12 C12  SING N N 40 
PRD_900010 O15 C15  SING N N 41 
PRD_900010 C15 C16  SING N N 42 
PRD_900010 C15 C14  SING N N 43 
PRD_900010 C12 C13  SING N N 44 
PRD_900010 C16 O16  SING N N 45 
PRD_900010 C13 C14  SING N N 46 
PRD_900010 C13 O13  SING N N 47 
PRD_900010 C14 O14  SING N N 48 
PRD_900010 O14 HO14 SING N N 49 
PRD_900010 C14 H141 SING N N 50 
PRD_900010 C13 H131 SING N N 51 
PRD_900010 O13 HO13 SING N N 52 
PRD_900010 C12 H121 SING N N 53 
PRD_900010 O12 HO12 SING N N 54 
PRD_900010 C11 H111 SING N N 55 
PRD_900010 C15 H151 SING N N 56 
PRD_900010 C16 H161 SING N N 57 
PRD_900010 C16 H162 SING N N 58 
PRD_900010 O16 HO16 SING N N 59 
PRD_900010 C24 H241 SING N N 60 
PRD_900010 C23 H231 SING N N 61 
PRD_900010 O23 HO23 SING N N 62 
PRD_900010 C22 H221 SING N N 63 
PRD_900010 O22 HO22 SING N N 64 
PRD_900010 C21 H211 SING N N 65 
PRD_900010 C25 H251 SING N N 66 
PRD_900010 C26 H261 SING N N 67 
PRD_900010 C26 H262 SING N N 68 
PRD_900010 O26 HO26 SING N N 69 
PRD_900010 C34 H341 SING N N 70 
PRD_900010 C33 H331 SING N N 71 
PRD_900010 O33 HO33 SING N N 72 
PRD_900010 C32 H321 SING N N 73 
PRD_900010 O32 HO32 SING N N 74 
PRD_900010 C31 H311 SING N N 75 
PRD_900010 C35 H351 SING N N 76 
PRD_900010 C36 H362 SING N N 77 
PRD_900010 C36 H361 SING N N 78 
PRD_900010 O36 HO36 SING N N 79 
PRD_900010 C44 H441 SING N N 80 
PRD_900010 C43 H431 SING N N 81 
PRD_900010 O43 HO43 SING N N 82 
PRD_900010 C42 H421 SING N N 83 
PRD_900010 O42 HO42 SING N N 84 
PRD_900010 C41 H411 SING N N 85 
PRD_900010 O41 HO41 SING N N 86 
PRD_900010 C45 H451 SING N N 87 
PRD_900010 C46 H461 SING N N 88 
PRD_900010 C46 H462 SING N N 89 
PRD_900010 O46 HO46 SING N N 90 
# 
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 
PRD_900010 SMILES           ACDLabs              12.01 "OC1C(O)C(O)C(OC1CO)OC2C(O)C(O)C(OC2CO)OC4C(O)C(O)C(OC3C(CO)OC(C(C3O)O)O)OC4CO"                                                                                                                                                                                   
PRD_900010 InChI            InChI                1.03  
;InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33

)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,2
 3-,24-/m1/s1
;
PRD_900010 InChIKey         InChI                1.03  LUEWUZLMQUOBSB-ZLBHSGTGSA-N                                                                                                                                                                                                                                       
PRD_900010 SMILES_CANONICAL CACTVS               3.385 
;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)O[C@@H]4CO)[C@H](O)[C@@H](O)[C@@H]1O
;
PRD_900010 SMILES           CACTVS               3.385 
;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)O[CH]4CO)[C
 H](O)[CH](O)[CH]1O
;
PRD_900010 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 
;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)CO)CO)CO)O)O)O)O
;
PRD_900010 SMILES           "OpenEye OEToolkits" 2.0.7 "C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)O)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 
PRD_900010 "SYSTEMATIC NAME" ACDLabs              12.01 "alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose"                                                                                                                                                                                                                        
PRD_900010 "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 
;(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-6-[(2~{R},3~{S},

4~{R},5~{R},6~{R})-2-(hydroxymethyl)-6-[(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]
 oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol
;
# 
