data_G4D
# 
_chem_comp.id                                    G4D 
_chem_comp.name                                  4-DEOXY-ALPHA-D-GLUCOSE 
_chem_comp.type                                  D-SACCHARIDE 
_chem_comp.pdbx_type                             ATOMS 
_chem_comp.formula                               "C6 H12 O5" 
_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                        164.156 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     G4D 
_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        1CXL 
_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 
G4D C1  C1  C 0 1 N N S 66.138 93.835 8.936  1.313  -0.351 -0.351 C1  G4D 1  
G4D C2  C2  C 0 1 N N R 67.442 93.845 9.692  0.312  -0.530 -1.495 C2  G4D 2  
G4D C3  C3  C 0 1 N N S 68.385 94.841 9.063  -0.905 0.363  -1.238 C3  G4D 3  
G4D C4  C4  C 0 1 N N N 68.554 94.611 7.571  -1.451 0.057  0.160  C4  G4D 4  
G4D C5  C5  C 0 1 N N S 67.216 94.432 6.876  -0.317 0.192  1.179  C5  G4D 5  
G4D C6  C6  C 0 1 N N N 67.392 93.899 5.484  -0.860 -0.078 2.584  C6  G4D 6  
G4D O1  O1  O 0 1 N Y N 65.607 95.134 9.030  1.701  1.021  -0.270 O1  G4D 7  
G4D O2  O2  O 0 1 N N N 67.185 94.216 11.038 0.926  -0.159 -2.731 O2  G4D 8  
G4D O3  O3  O 0 1 N N N 69.676 94.757 9.669  -1.913 0.098  -2.215 O3  G4D 9  
G4D O5  O5  O 0 1 N N N 66.373 93.510 7.575  0.713  -0.747 0.880  O5  G4D 10 
G4D O6  O6  O 0 1 N N N 66.838 92.584 5.355  0.196  0.049  3.536  O6  G4D 11 
G4D H1  H1  H 0 1 N N N 65.434 93.079 9.357  2.193  -0.966 -0.540 H1  G4D 12 
G4D H2  H2  H 0 1 N N N 67.908 92.832 9.659  -0.003 -1.572 -1.543 H2  G4D 13 
G4D H3  H3  H 0 1 N N N 67.934 95.847 9.226  -0.608 1.411  -1.293 H3  G4D 14 
G4D H41 1H4 H 0 1 N N N 69.151 95.425 7.099  -1.844 -0.959 0.184  H41 G4D 15 
G4D H42 2H4 H 0 1 N N N 69.236 93.753 7.366  -2.246 0.762  0.404  H42 G4D 16 
G4D H5  H5  H 0 1 N N N 66.746 95.442 6.854  0.089  1.202  1.137  H5  G4D 17 
G4D H61 1H6 H 0 1 N N N 66.971 94.596 4.722  -1.268 -1.088 2.627  H61 G4D 18 
G4D H62 2H6 H 0 1 N N N 68.461 93.925 5.168  -1.646 0.640  2.814  H62 G4D 19 
G4D HO1 HO1 H 0 1 N N N 64.785 95.127 8.553  2.331  1.091  0.460  HO1 G4D 20 
G4D HO2 HO2 H 0 1 N N N 68.006 94.222 11.514 1.685  -0.744 -2.854 HO2 G4D 21 
G4D HO3 HO3 H 0 1 N N N 70.269 95.384 9.273  -1.527 0.304  -3.078 HO3 G4D 22 
G4D HO6 HO6 H 0 1 N N N 66.949 92.246 4.473  -0.187 -0.128 4.406  HO6 G4D 23 
# 
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 
G4D C1 C2  SING N N 1  
G4D C1 O1  SING N N 2  
G4D C1 O5  SING N N 3  
G4D C1 H1  SING N N 4  
G4D C2 C3  SING N N 5  
G4D C2 O2  SING N N 6  
G4D C2 H2  SING N N 7  
G4D C3 C4  SING N N 8  
G4D C3 O3  SING N N 9  
G4D C3 H3  SING N N 10 
G4D C4 C5  SING N N 11 
G4D C4 H41 SING N N 12 
G4D C4 H42 SING N N 13 
G4D C5 C6  SING N N 14 
G4D C5 O5  SING N N 15 
G4D C5 H5  SING N N 16 
G4D C6 O6  SING N N 17 
G4D C6 H61 SING N N 18 
G4D C6 H62 SING N N 19 
G4D O1 HO1 SING N N 20 
G4D O2 HO2 SING N N 21 
G4D O3 HO3 SING N N 22 
G4D O6 HO6 SING N N 23 
# 
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 
G4D SMILES           ACDLabs              10.04 OC1CC(OC(O)C1O)CO                                                          
G4D InChI            InChI                1.02b InChI=1/C6H12O5/c7-2-3-1-4(8)5(9)6(10)11-3/h3-10H,1-2H2/t3-,4-,5+,6-/m0/s1 
G4D InChIKey         InChI                1.02b HDEMQQHXNOJATE-AZGQCCRYBF                                                  
G4D SMILES_CANONICAL CACTVS               3.341 OC[C@@H]1C[C@H](O)[C@@H](O)[C@@H](O)O1                                     
G4D SMILES           CACTVS               3.341 OC[CH]1C[CH](O)[CH](O)[CH](O)O1                                            
G4D SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO                                      
G4D SMILES           "OpenEye OEToolkits" 1.5.0 C1C(OC(C(C1O)O)O)CO                                                        
# 
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 
G4D "SYSTEMATIC NAME" ACDLabs              10.04 4-deoxy-alpha-D-xylo-hexopyranose                
G4D "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 (2S,3R,4S,6S)-6-(hydroxymethyl)oxane-2,3,4-triol 
# 
