data_FE
#

_chem_comp.id                                   FE
_chem_comp.name                                 "FE (III) ION"
_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAI
_chem_comp.formula                              Fe
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        ?
_chem_comp.pdbx_formal_charge                   3
_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                        ?
_chem_comp.formula_weight                       55.845
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    FE
_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                   FE
_chem_comp_atom.atom_id                   FE
_chem_comp_atom.alt_atom_id               FE
_chem_comp_atom.type_symbol               FE
_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    FE
_chem_comp_atom.pdbx_component_comp_id    FE
_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
FE  SMILES            ACDLabs               10.04  "[Fe+3]"                     
FE  SMILES_CANONICAL  CACTVS                3.341  "[Fe+3]"                     
FE  SMILES            CACTVS                3.341  "[Fe+3]"                     
FE  SMILES_CANONICAL  "OpenEye OEToolkits"  1.5.0  "[Fe+3]"                     
FE  SMILES            "OpenEye OEToolkits"  1.5.0  "[Fe+3]"                     
FE  InChI             InChI                 1.03   InChI=1S/Fe/q+3              
FE  InChIKey          InChI                 1.03   VTLYFUHAOXGGBS-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
FE  "SYSTEMATIC NAME"  ACDLabs               10.04  "iron(3+)"  
FE  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  1.5.0  "iron(+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
FE  "Create component"   1999-07-08  RCSB  
FE  "Modify descriptor"  2011-06-04  RCSB  
##