data_WO5
# 
_chem_comp.id                                    WO5 
_chem_comp.name                                  "TUNGSTATE(VI) ION" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "H5 O5 W" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2004-04-01 
_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                        268.877 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     WO5 
_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        1V0R 
_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 
WO5 W  W  W 0 1 N N N 11.570 28.588 9.958  0.005  -0.127 0.014  W  WO5 1  
WO5 O1 O1 O 0 1 N N N 12.789 27.963 8.340  1.173  -0.011 1.645  O1 WO5 2  
WO5 O2 O2 O 0 1 N N N 10.392 28.410 11.663 -1.163 -0.243 -1.616 O2 WO5 3  
WO5 O3 O3 O 0 1 N N N 10.038 28.973 8.695  -1.626 -0.176 1.187  O3 WO5 4  
WO5 O4 O4 O 0 1 N N N 11.349 26.516 9.716  1.636  -0.079 -1.158 O4 WO5 5  
WO5 O5 O5 O 0 1 N N N 12.232 30.406 9.997  -0.101 1.878  -0.051 O5 WO5 6  
WO5 H1 H1 H 0 1 N N N 13.327 28.044 7.561  1.902  -0.633 1.512  H1 WO5 7  
WO5 H2 H2 H 0 1 N N N 9.846  28.690 12.388 -0.829 0.409  -2.246 H2 WO5 8  
WO5 H3 H3 H 0 1 N N N 9.492  29.253 9.420  -2.269 0.432  0.797  H3 WO5 9  
WO5 H4 H4 H 0 1 N N N 10.803 26.796 10.441 1.517  -0.763 -1.831 H4 WO5 10 
WO5 H5 H5 H 0 1 N N N 11.686 30.686 10.722 0.034  2.135  -0.973 H5 WO5 11 
# 
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 
WO5 W  O1 SING N N 1  
WO5 W  O2 SING N N 2  
WO5 W  O3 SING N N 3  
WO5 W  O4 SING N N 4  
WO5 W  O5 SING N N 5  
WO5 O1 H1 SING N N 6  
WO5 O2 H2 SING N N 7  
WO5 O3 H3 SING N N 8  
WO5 O4 H4 SING N N 9  
WO5 O5 H5 SING N N 10 
# 
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 
WO5 SMILES           ACDLabs              10.04 O[W](O)(O)(O)O                                                                      
WO5 InChI            InChI                1.02b InChI=1/5H2O.W/h5*1H2;/q;;;;;+5/p-5/f5HO.W/h5*1h;/q5*-1;m/rH5O5W/c1-6(2,3,4)5/h1-5H 
WO5 InChIKey         InChI                1.02b YZYFSAVXZUBYTQ-VJDVGYNUCP                                                           
WO5 SMILES_CANONICAL CACTVS               3.341 O[W](O)(O)(O)O                                                                      
WO5 SMILES           CACTVS               3.341 O[W](O)(O)(O)O                                                                      
WO5 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 O[W](O)(O)(O)O                                                                      
WO5 SMILES           "OpenEye OEToolkits" 1.5.0 O[W](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 
WO5 "SYSTEMATIC NAME" ACDLabs              10.04 "tungsten(5+) pentahydroxide" 
WO5 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 pentahydroxytungsten          
# 
