data_3NI # _chem_comp.id 3NI _chem_comp.name "NICKEL (III) ION" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAI _chem_comp.formula Ni _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 3 _chem_comp.pdbx_initial_date 2003-07-22 _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 58.693 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 3NI _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 ? _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site RCSB # _chem_comp_atom.comp_id 3NI _chem_comp_atom.atom_id NI _chem_comp_atom.alt_atom_id NI _chem_comp_atom.type_symbol NI _chem_comp_atom.charge 3 _chem_comp_atom.pdbx_align 0 _chem_comp_atom.pdbx_aromatic_flag N _chem_comp_atom.pdbx_leaving_atom_flag N _chem_comp_atom.pdbx_stereo_config N _chem_comp_atom.model_Cartn_x 0.000 _chem_comp_atom.model_Cartn_y 0.000 _chem_comp_atom.model_Cartn_z 0.000 _chem_comp_atom.pdbx_model_Cartn_x_ideal 0.000 _chem_comp_atom.pdbx_model_Cartn_y_ideal 0.000 _chem_comp_atom.pdbx_model_Cartn_z_ideal 0.000 _chem_comp_atom.pdbx_component_atom_id NI _chem_comp_atom.pdbx_component_comp_id 3NI _chem_comp_atom.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 3NI SMILES ACDLabs 10.04 "[Ni+3]" 3NI SMILES_CANONICAL CACTVS 3.341 "[Ni+3]" 3NI SMILES CACTVS 3.341 "[Ni+3]" 3NI SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "[Ni+3]" 3NI SMILES "OpenEye OEToolkits" 1.5.0 "[Ni+3]" 3NI InChI InChI 1.03 InChI=1S/Ni/q+3 3NI InChIKey InChI 1.03 JDRCAGKFDGHRNQ-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 3NI "SYSTEMATIC NAME" ACDLabs 10.04 "nickel(3+)" 3NI "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "nickel(+3) cation" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site 3NI "Create component" 2003-07-22 RCSB 3NI "Modify descriptor" 2011-06-04 RCSB #