data_MMC
# 
_chem_comp.id                                    MMC 
_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                     1999-07-08 
_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                         HGC 
_chem_comp.formula_weight                        215.625 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     MMC 
_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        1BIC 
_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 
MMC HG HG HG 1 0 N N N -2.213 10.900 24.336 0.000  0.000  -0.151 HG MMC 1 
MMC C  C  C -1 1 N N N -1.488 11.573 26.102 0.000  0.000  1.948  C  MMC 2 
MMC H1 1H H  0 1 N N N -1.005 11.320 25.129 -0.009 1.027  2.311  H1 MMC 3 
MMC H2 2H H  0 1 N N N -1.596 12.385 26.857 -0.885 -0.522 2.311  H2 MMC 4 
MMC H3 3H H  0 1 N N N -1.458 11.352 27.194 0.894  -0.505 2.311  H3 MMC 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 
MMC HG C  SING N N 1 
MMC C  H1 SING N N 2 
MMC C  H2 SING N N 3 
MMC C  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 
MMC SMILES           ACDLabs              10.04 "[Hg+]C"                    
MMC SMILES_CANONICAL CACTVS               3.341 "C[Hg+]"                    
MMC SMILES           CACTVS               3.341 "C[Hg+]"                    
MMC SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C[Hg+]"                    
MMC SMILES           "OpenEye OEToolkits" 1.5.0 "C[Hg+]"                    
MMC InChI            InChI                1.03  InChI=1S/CH3.Hg/h1H3;/q;+1  
MMC InChIKey         InChI                1.03  DBUXSCUEGJMZAE-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 
MMC "SYSTEMATIC NAME" ACDLabs              10.04 "methylmercury(1+)" 
MMC "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 methylmercury       
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
MMC "Create component"  1999-07-08 RCSB 
MMC "Modify descriptor" 2011-06-04 RCSB 
