data_HGC
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_chem_comp.id                                    HGC 
_chem_comp.name                                  "METHYL MERCURY ION" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C H3 Hg" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    1 
_chem_comp.pdbx_initial_date                     1999-08-31 
_chem_comp.pdbx_modified_date                    2008-10-14 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   OBS 
_chem_comp.pdbx_replaced_by                      MMC 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        215.625 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     HGC 
_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 
# 
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 
HGC HG HG HG 1 0 N N N 12.757 8.438 30.814 0.000  0.000  -0.151 HG HGC 1 
HGC C1 C1 C  0 1 N N N 11.206 8.059 31.309 0.000  0.000  1.948  C1 HGC 2 
HGC H1 H1 H  0 1 N N N 10.622 8.949 30.978 -0.009 1.027  2.311  H1 HGC 3 
HGC H2 H2 H  0 1 N N N 10.820 7.081 30.935 -0.885 -0.522 2.311  H2 HGC 4 
HGC H3 H3 H  0 1 N N N 11.107 7.808 32.391 0.894  -0.505 2.311  H3 HGC 5 
# 
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 
HGC HG C1 SING N N 1 
HGC C1 H1 SING N N 2 
HGC C1 H2 SING N N 3 
HGC C1 H3 SING N N 4 
# 
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 
HGC SMILES           ACDLabs              10.04 "[Hg+]C"                                       
HGC InChI            InChI                1.02b InChI=1/CH3.Hg/h1H3;/q;+1/rCH3Hg/c1-2/h1H3/q+1 
HGC InChIKey         InChI                1.02b DBUXSCUEGJMZAE-JPUIZPALAZ                      
HGC SMILES_CANONICAL CACTVS               3.341 "C[Hg+]"                                       
HGC SMILES           CACTVS               3.341 "C[Hg+]"                                       
HGC SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C[Hg+]"                                       
HGC SMILES           "OpenEye OEToolkits" 1.5.0 "C[Hg+]"                                       
# 
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 
HGC "SYSTEMATIC NAME" ACDLabs              10.04 "methylmercury(1+)" 
HGC "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 methylmercury       
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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 
HGC "Create component" 1999-08-31 RCSB 
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