data_2FK
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_chem_comp.id                                    2FK 
_chem_comp.name                                  "SUPEROXO ION" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               O2 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    -1 
_chem_comp.pdbx_initial_date                     2013-10-08 
_chem_comp.pdbx_modified_date                    2013-10-08 
_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                        31.999 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     2FK 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        4L2Q 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
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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 
2FK O1 O1 O -1 1 N N N 27.290 26.888 33.875 0.000 0.000 -0.501 O1 2FK 1 
2FK O2 O2 O 0  1 N N N 26.630 27.419 32.640 0.000 0.000 0.501  O2 2FK 2 
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_chem_comp_bond.comp_id              2FK 
_chem_comp_bond.atom_id_1            O1 
_chem_comp_bond.atom_id_2            O2 
_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 
2FK InChI            InChI                1.03  InChI=1S/O2/c1-2/q-1        
2FK InChIKey         InChI                1.03  MXDZWXWHPVATGF-UHFFFAOYSA-N 
2FK SMILES_CANONICAL CACTVS               3.385 "O=[O-]"                    
2FK SMILES           CACTVS               3.385 "O=[O-]"                    
2FK SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "[O-]=O"                    
2FK SMILES           "OpenEye OEToolkits" 1.7.6 "[O-]=O"                    
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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 
2FK "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "SUPEROXO ION" 
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loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
2FK "Create component" 2013-10-08 RCSB 
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