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 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 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 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" WO5 InChI InChI 1.03 InChI=1S/5H2O.W/h5*1H2;/q;;;;;+5/p-5 WO5 InChIKey InChI 1.03 YZYFSAVXZUBYTQ-UHFFFAOYSA-I # 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 # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site WO5 "Create component" 2004-04-01 RCSB WO5 "Modify descriptor" 2011-06-04 RCSB #