data_6B6 # _chem_comp.id 6B6 _chem_comp.name "platinum(4+) tetrahydroxide" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "H4 O4 Pt" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2016-03-01 _chem_comp.pdbx_modified_date 2016-12-02 _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 263.107 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 6B6 _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag Y _chem_comp.pdbx_ideal_coordinates_details Corina _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 5IHG _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 6B6 O2 O1 O 0 1 N N N 10.015 -12.370 2.355 -0.767 -0.000 -1.842 O2 6B6 1 6B6 PT1 PT1 PT 0 0 N N N 11.902 -11.492 1.423 0.005 0.000 0.003 PT1 6B6 2 6B6 O3 O2 O 0 1 N N N 13.638 -10.766 0.499 -0.608 1.633 0.982 O3 6B6 3 6B6 O1 O3 O 0 1 N N N 12.878 -11.493 3.208 -0.608 -1.633 0.982 O1 6B6 4 6B6 O4 O4 O 0 1 N Y N ? ? ? 2.002 0.000 -0.109 O4 6B6 5 6B6 H1 H1 H 0 1 N N N 13.908 -9.959 0.921 -1.568 1.699 1.074 H1 6B6 6 6B6 H2 H2 H 0 1 N N N ? ? ? 2.370 0.765 -0.572 H2 6B6 7 6B6 H4 H4 H 0 1 N N N 9.723 -11.811 3.065 -1.733 -0.000 -1.864 H4 6B6 8 6B6 H3 H3 H 0 1 N N N 12.293 -11.803 3.889 -0.345 -2.464 0.563 H3 6B6 9 # 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 6B6 O3 PT1 SING N N 1 6B6 PT1 O2 SING N N 2 6B6 PT1 O1 SING N N 3 6B6 PT1 O4 SING N N 4 6B6 O3 H1 SING N N 5 6B6 O4 H2 SING N N 6 6B6 O2 H4 SING N N 7 6B6 O1 H3 SING N N 8 # 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 6B6 SMILES ACDLabs 12.01 "O[Pt](O)(O)O" 6B6 InChI InChI 1.03 InChI=1S/4H2O.Pt/h4*1H2;/q;;;;+4/p-4 6B6 InChIKey InChI 1.03 JTAFSELAEYLDJR-UHFFFAOYSA-J 6B6 SMILES_CANONICAL CACTVS 3.385 "O[Pt](O)(O)O" 6B6 SMILES CACTVS 3.385 "O[Pt](O)(O)O" 6B6 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.4 "O[Pt](O)(O)O" 6B6 SMILES "OpenEye OEToolkits" 2.0.4 "O[Pt](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 6B6 "SYSTEMATIC NAME" ACDLabs 12.01 "platinum(4+) tetrahydroxide" 6B6 "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.4 "tetrakis(oxidanyl)platinum" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site 6B6 "Create component" 2016-03-01 EBI 6B6 "Other modification" 2016-03-08 EBI 6B6 "Initial release" 2016-12-07 RCSB #