data_CL # _chem_comp.id CL _chem_comp.name "CHLORIDE ION" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAI _chem_comp.formula Cl _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge -1 _chem_comp.pdbx_initial_date 1999-07-08 _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 CLO _chem_comp.formula_weight 35.453 _chem_comp.one_letter_code ? _chem_comp.three_letter_code CL _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 PDBJ # _chem_comp_atom.comp_id CL _chem_comp_atom.atom_id CL _chem_comp_atom.alt_atom_id CL _chem_comp_atom.type_symbol CL _chem_comp_atom.charge -1 _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 CL _chem_comp_atom.pdbx_component_comp_id CL _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 CL SMILES ACDLabs 10.04 "[Cl-]" CL SMILES_CANONICAL CACTVS 3.341 "[Cl-]" CL SMILES CACTVS 3.341 "[Cl-]" CL SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "[Cl-]" CL SMILES "OpenEye OEToolkits" 1.5.0 "[Cl-]" CL InChI InChI 1.03 InChI=1S/ClH/h1H/p-1 CL InChIKey InChI 1.03 VEXZGXHMUGYJMC-UHFFFAOYSA-M # # 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 CL "SYSTEMATIC NAME" ACDLabs 10.04 chloride CL "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 chloride # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site CL "Create component" 1999-07-08 PDBJ CL "Modify descriptor" 2011-06-04 RCSB ##