data_HSZ
# 
_chem_comp.id                                    HSZ 
_chem_comp.name                                  beta-D-xylopyranose 
_chem_comp.type                                  SACCHARIDE 
_chem_comp.pdbx_type                             ATOMS 
_chem_comp.formula                               "C5 H10 O5" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2009-01-16 
_chem_comp.pdbx_modified_date                    2009-02-17
_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                        150.130 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     HSZ 
_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        2b4f 
_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 
HSZ C1  C1  C 0 1 N N N -2.005 -5.001 26.123 -0.652 1.734  -0.213 C1  HSZ 1  
HSZ C2  C2  C 0 1 N N R -2.365 -6.361 25.542 -1.425 0.513  0.291  C2  HSZ 2  
HSZ C3  C3  C 0 1 N N S -2.677 -7.439 26.609 -0.748 -0.760 -0.228 C3  HSZ 3  
HSZ C4  C4  C 0 1 N N R -1.756 -7.299 27.824 0.715  -0.769 0.228  C4  HSZ 4  
HSZ C5  C5  C 0 1 N N R -1.593 -5.847 28.260 1.405  0.502  -0.273 C5  HSZ 5  
HSZ O5  O5  O 0 1 N N N -1.136 -5.086 27.176 0.707  1.648  0.220  O5  HSZ 6  
HSZ H1  H1  H 0 1 N N N -1.533 -4.400 25.332 -0.685 1.762  -1.302 H1  HSZ 7  
HSZ H1A H1A H 0 1 N N N -2.933 -4.542 26.494 -1.104 2.641  0.188  H1A HSZ 8  
HSZ O2  O2  O 0 1 N N N -1.202 -6.830 24.856 -2.770 0.568  -0.190 O2  HSZ 9  
HSZ O3  O3  O 0 1 N N N -4.033 -7.227 27.011 -1.419 -1.906 0.298  O3  HSZ 10 
HSZ H4  H4  H 0 1 N N N -2.202 -7.860 28.659 0.756  -0.800 1.317  H4  HSZ 11 
HSZ O4  O4  O 0 1 N N N -0.466 -7.797 27.459 1.376  -1.915 -0.310 O4  HSZ 12 
HSZ O51 O51 O 0 1 N N N -2.853 -5.337 28.705 2.755  0.528  0.196  O51 HSZ 13 
HSZ H5  H5  H 0 1 N N N -0.865 -5.789 29.083 1.399  0.514  -1.363 H5  HSZ 14 
HSZ H2  H2  H 0 1 N N N -3.261 -6.223 24.918 -1.426 0.507  1.381  H2  HSZ 15 
HSZ H3  H3  H 0 1 N N N -2.521 -8.446 26.194 -0.790 -0.778 -1.316 H3  HSZ 16 
HSZ HO2 HO2 H 0 1 N N N -1.399 -6.934 23.932 -3.258 1.352  0.097  HO2 HSZ 17 
HSZ HO3 HO3 H 0 1 N N N -4.079 -7.180 27.959 -2.353 -1.961 0.054  HO3 HSZ 18 
HSZ H9  H9  H 0 1 N N N -0.424 -7.907 26.516 2.307  -1.985 -0.061 H9  HSZ 19 
HSZ H10 H10 H 0 1 N N N -2.834 -5.224 29.648 3.254  1.308  -0.084 H10 HSZ 20 
# 
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 
HSZ C1  C2  SING N N 1  
HSZ C1  O5  SING N N 2  
HSZ C1  H1  SING N N 3  
HSZ C1  H1A SING N N 4  
HSZ C2  C3  SING N N 5  
HSZ C2  O2  SING N N 6  
HSZ C3  C4  SING N N 7  
HSZ C3  O3  SING N N 8  
HSZ C4  C5  SING N N 9  
HSZ C4  H4  SING N N 10 
HSZ C4  O4  SING N N 11 
HSZ C5  O5  SING N N 12 
HSZ C5  O51 SING N N 13 
HSZ C5  H5  SING N N 14 
HSZ C2  H2  SING N N 15 
HSZ C3  H3  SING N N 16 
HSZ O2  HO2 SING N N 17 
HSZ O3  HO3 SING N N 18 
HSZ O4  H9  SING N N 19 
HSZ O51 H10 SING N N 20 
# 
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 
HSZ SMILES           ACDLabs              10.04 OC1C(O)COC(O)C1O                                                     
HSZ InChI            InChI                1.02b InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1 
HSZ InChIKey         InChI                1.02b SRBFZHDQGSBBOR-KKQCNMDGBB                                            
HSZ SMILES_CANONICAL CACTVS               3.341 O[C@@H]1CO[C@@H](O)[C@H](O)[C@H]1O                                   
HSZ SMILES           CACTVS               3.341 O[CH]1CO[CH](O)[CH](O)[CH]1O                                         
HSZ SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O                               
HSZ SMILES           "OpenEye OEToolkits" 1.5.0 C1C(C(C(C(O1)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 
HSZ "SYSTEMATIC NAME" ACDLabs              10.04 beta-D-xylopyranose                
HSZ "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 (2R,3R,4S,5R)-oxane-2,3,4,5-tetrol 
# 
