data_HGI
#

_chem_comp.id                                   HGI
_chem_comp.name                                 "MERCURY (II) IODIDE"
_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "Hg I2"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        "MERCURY DIIODIDE"
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2001-06-20
_chem_comp.pdbx_modified_date                   2021-03-01
_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                       454.399
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    HGI
_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       1J99
_chem_comp.pdbx_subcomponent_list               ?
_chem_comp.pdbx_processing_site                 RCSB
#   #
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
HGI  HG  HG  HG  0  0  N  N  N  4.094  -27.598  34.690  0.000  0.000   0.000  HG  HGI  1  
HGI  I1  I1  I   0  1  N  N  N  6.239  -27.907  36.021  0.000  0.000  -2.650  I1  HGI  2  
HGI  I2  I2  I   0  1  N  N  N  4.437  -26.429  32.307  0.000  0.000   2.650  I2  HGI  3  
#   #
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
HGI  HG  I1  SING  N  N  1  
HGI  HG  I2  SING  N  N  2  
#   #
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
HGI  SMILES            ACDLabs               10.04  I[Hg]I  
HGI  SMILES_CANONICAL  CACTVS                3.341  I[Hg]I  
HGI  SMILES            CACTVS                3.341  I[Hg]I  
HGI  SMILES_CANONICAL  "OpenEye OEToolkits"  1.5.0  I[Hg]I  
HGI  SMILES            "OpenEye OEToolkits"  1.5.0  I[Hg]I  
HGI  InChI             InChI                 1.03   "InChI=1S/Hg.2HI/h;2*1H/q+2;;/p-2"  
HGI  InChIKey          InChI                 1.03   YFDLHELOZYVNJE-UHFFFAOYSA-L  
#   #
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
HGI  "SYSTEMATIC NAME"  ACDLabs               10.04  "mercury diiodide"  
HGI  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  1.5.0  diiodomercury  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
HGI  "Create component"   2001-06-20  RCSB  
HGI  "Modify descriptor"  2011-06-04  RCSB  
HGI  "Modify synonyms"    2021-03-01  PDBE  
#
_pdbx_chem_comp_synonyms.ordinal     1
_pdbx_chem_comp_synonyms.comp_id     HGI
_pdbx_chem_comp_synonyms.name        "MERCURY DIIODIDE"
_pdbx_chem_comp_synonyms.provenance  ?
_pdbx_chem_comp_synonyms.type        ?
##