data_WO6
# 
_chem_comp.id                                    WO6 
_chem_comp.name                                  "trioxido(oxo)tungsten" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "O4 W" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    -3 
_chem_comp.pdbx_initial_date                     2007-12-12 
_chem_comp.pdbx_modified_date                    2011-06-04 
_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                        247.838 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     WO6 
_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        2RB5 
_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 
WO6 W  W  W 0  1 N N N 12.441 30.492 39.777 -0.000 -0.000 0.000  W  WO6 1 
WO6 O1 O1 O 0  1 N N N 12.158 30.470 37.981 0.000  1.589  -1.123 O1 WO6 2 
WO6 O2 O2 O -1 1 N N N 12.571 32.197 40.078 0.000  -1.589 -1.123 O2 WO6 3 
WO6 O3 O3 O -1 1 N N N 13.860 29.598 39.662 1.589  -0.000 1.123  O3 WO6 4 
WO6 O4 O4 O -1 1 N N N 10.982 29.719 40.087 -1.589 0.000  1.123  O4 WO6 5 
# 
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 
WO6 W  O2 SING N N 1 
WO6 W  O1 DOUB N N 2 
WO6 O3 W  SING N N 3 
WO6 O4 W  SING N N 4 
# 
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 
WO6 SMILES           ACDLabs              10.04 "[O-][W]([O-])([O-])=O"     
WO6 SMILES_CANONICAL CACTVS               3.341 "[O-][W]([O-])([O-])=O"     
WO6 SMILES           CACTVS               3.341 "[O-][W]([O-])([O-])=O"     
WO6 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "[O-][W](=O)([O-])[O-]"     
WO6 SMILES           "OpenEye OEToolkits" 1.5.0 "[O-][W](=O)([O-])[O-]"     
WO6 InChI            InChI                1.03  InChI=1S/4O.W/q;3*-1;       
WO6 InChIKey         InChI                1.03  PTYLJMYMINBGLK-UHFFFAOYSA-N 
# 
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 
WO6 "SYSTEMATIC NAME" ACDLabs              10.04 "trioxido(oxo)tungsten" 
WO6 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 trioxido-oxo-tungsten   
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
WO6 "Create component"  2007-12-12 RCSB 
WO6 "Modify descriptor" 2011-06-04 RCSB 
#