data_6WO
# 
_chem_comp.id                                    6WO 
_chem_comp.name                                  OXO-TUNGSTEN(VI) 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "O W" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    4 
_chem_comp.pdbx_initial_date                     2000-05-03 
_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                        199.839 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     6WO 
_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        1E18 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  EBI 
# 
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 
6WO W  W  W 4 1 N N N -5.320 46.659 32.091 0.000 0.000 0.140  W  6WO 1 
6WO O1 O1 O 0 1 N N N -4.782 45.540 30.726 0.000 0.000 -1.613 O1 6WO 2 
# 
_chem_comp_bond.comp_id              6WO 
_chem_comp_bond.atom_id_1            W 
_chem_comp_bond.atom_id_2            O1 
_chem_comp_bond.value_order          DOUB 
_chem_comp_bond.pdbx_aromatic_flag   N 
_chem_comp_bond.pdbx_stereo_config   N 
_chem_comp_bond.pdbx_ordinal         1 
# 
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 
6WO SMILES           ACDLabs              10.04 O=[W]                     
6WO InChI            InChI                1.02b InChI=1/O.W/rOW/c1-2      
6WO InChIKey         InChI                1.02b VVRQVWSVLMGPRN-JWQUNFFCAI 
6WO SMILES_CANONICAL CACTVS               3.341 O=[W]                     
6WO SMILES           CACTVS               3.341 O=[W]                     
6WO SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 O=[W+4]                   
6WO SMILES           "OpenEye OEToolkits" 1.5.0 O=[W+4]                   
# 
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 
6WO "SYSTEMATIC NAME" ACDLabs              10.04 oxotungsten 
6WO "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 oxotungsten 
# 
