data_LDY
# 
_chem_comp.id                                    LDY 
_chem_comp.name                                  alpha-D-lyxopyranose 
_chem_comp.type                                  D-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                     2008-01-09 
_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                        150.130 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     LDY 
_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        2RI9 
_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 
LDY C5  C5  C 0 1 N N N 35.347 25.922 -41.913 1.232  -1.065 0.872  C5  LDY 1  
LDY O5  O5  O 0 1 N N N 34.375 26.945 -41.599 -0.012 -1.579 0.391  O5  LDY 2  
LDY C1  C1  C 0 1 N N S 34.310 28.018 -42.573 -1.067 -0.615 0.358  C1  LDY 3  
LDY C2  C2  C 0 1 N N S 34.157 27.477 -44.024 -0.682 0.527  -0.586 C2  LDY 4  
LDY O2  O2  O 0 1 N N N 34.500 28.509 -44.943 -1.710 1.520  -0.578 O2  LDY 5  
LDY C3  C3  C 0 1 N N S 35.019 26.233 -44.333 0.635  1.150  -0.112 C3  LDY 6  
LDY O3  O3  O 0 1 N N N 36.372 26.609 -44.543 0.456  1.717  1.187  O3  LDY 7  
LDY C4  C4  C 0 1 N N R 34.953 25.222 -43.196 1.709  0.059  -0.052 C4  LDY 8  
LDY O4  O4  O 0 1 N N N 33.630 24.705 -43.084 1.934  -0.462 -1.363 O4  LDY 9  
LDY O1  O1  O 0 1 N Y N 33.174 28.783 -42.269 -2.265 -1.237 -0.110 O1  LDY 10 
LDY H5  H5  H 0 1 N N N 35.384 25.189 -41.093 1.099  -0.675 1.881  H5  LDY 11 
LDY H5A H5A H 0 1 N N N 36.337 26.385 -42.039 1.974  -1.864 0.885  H5A LDY 12 
LDY H1  H1  H 0 1 N N N 35.241 28.602 -42.525 -1.230 -0.219 1.360  H1  LDY 13 
LDY H2  H2  H 0 1 N N N 33.107 27.164 -44.126 -0.559 0.139  -1.597 H2  LDY 14 
LDY HO2 HO2 H 0 1 N N N 34.576 29.334 -44.479 -2.575 1.193  -0.864 HO2 LDY 15 
LDY H3  H3  H 0 1 N N N 34.617 25.769 -45.246 0.943  1.927  -0.811 H3  LDY 16 
LDY HO3 HO3 H 0 1 N N N 36.537 26.693 -45.475 1.252  2.129  1.550  HO3 LDY 17 
LDY H4  H4  H 0 1 N N N 35.638 24.385 -43.393 2.635  0.482  0.338  H4  LDY 18 
LDY HO4 HO4 H 0 1 N N N 33.411 24.590 -42.167 2.605  -1.159 -1.399 HO4 LDY 19 
LDY HO1 HO1 H 0 1 N N N 33.149 28.956 -41.335 -2.568 -1.972 0.441  HO1 LDY 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 
LDY C4 C5  SING N N 1  
LDY C5 O5  SING N N 2  
LDY C5 H5  SING N N 3  
LDY C5 H5A SING N N 4  
LDY C1 O5  SING N N 5  
LDY C2 C1  SING N N 6  
LDY C1 O1  SING N N 7  
LDY C1 H1  SING N N 8  
LDY O2 C2  SING N N 9  
LDY C3 C2  SING N N 10 
LDY C2 H2  SING N N 11 
LDY O2 HO2 SING N N 12 
LDY O3 C3  SING N N 13 
LDY C3 C4  SING N N 14 
LDY C3 H3  SING N N 15 
LDY O3 HO3 SING N N 16 
LDY C4 O4  SING N N 17 
LDY C4 H4  SING N N 18 
LDY O4 HO4 SING N N 19 
LDY O1 HO1 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 
LDY SMILES           ACDLabs              10.04 OC1C(O)COC(O)C1O                                                     
LDY 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 
LDY InChIKey         InChI                1.02b SRBFZHDQGSBBOR-STGXQOJABA                                            
LDY SMILES_CANONICAL CACTVS               3.341 O[C@@H]1CO[C@H](O)[C@@H](O)[C@H]1O                                   
LDY SMILES           CACTVS               3.341 O[CH]1CO[CH](O)[CH](O)[CH]1O                                         
LDY SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O                               
LDY 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 
LDY "SYSTEMATIC NAME" ACDLabs              10.04 alpha-D-lyxopyranose               
LDY "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 (2S,3S,4S,5R)-oxane-2,3,4,5-tetrol 
# 
