data_CN
# 
_chem_comp.id                                    CN 
_chem_comp.name                                  CYANIDE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C H N" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-07-08 
_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                      CYN 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        27.025 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     CN 
_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   Y 
_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 
CN C1 C1 C 0 1 N N N 16.223 28.375 5.123 0.000 0.000 0.549  C1 CN 1 
CN N1 N1 N 0 1 N N N 16.779 27.531 4.810 0.000 0.000 -0.586 N1 CN 2 
CN H1 H1 H 0 1 N Y N 15.666 29.221 5.437 ?     ?     ?      H1 CN 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 
CN C1 N1 TRIP N N 1 
CN C1 H1 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 
CN SMILES           ACDLabs              10.04 N#C                       
CN InChI            InChI                1.02b InChI=1/CHN/c1-2/h1H      
CN InChIKey         InChI                1.02b LELOWRISYMNNSU-UHFFFAOYAU 
CN SMILES_CANONICAL CACTVS               3.341 C#N                       
CN SMILES           CACTVS               3.341 C#N                       
CN SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C#N                       
CN SMILES           "OpenEye OEToolkits" 1.5.0 C#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 
CN "SYSTEMATIC NAME" ACDLabs              10.04 "hydrocyanic acid" 
CN "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 formonitrile       
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
CN "Create component" 1999-07-08 RCSB 
# 
