data_74C
#

_chem_comp.id                                   74C
_chem_comp.name                                 "methyl radical"
_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C H3"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        ?
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2016-08-23
_chem_comp.pdbx_modified_date                   2017-09-08
_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                       15.035
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    74C
_chem_comp.pdbx_model_coordinates_details       ?
_chem_comp.pdbx_model_coordinates_missing_flag  N
_chem_comp.pdbx_ideal_coordinates_details       Corina
_chem_comp.pdbx_ideal_coordinates_missing_flag  Y
_chem_comp.pdbx_model_coordinates_db_code       5LS7
_chem_comp.pdbx_subcomponent_list               ?
_chem_comp.pdbx_processing_site                 EBI
#   #
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
74C  C   C1  C  0  1  N  N  N  -26.750  -6.163  -0.703  ?  ?  ?  C   74C  1  
74C  H2  H2  H  0  1  N  N  N  -25.670  -6.163  -0.703  ?  ?  ?  H2  74C  2  
74C  H3  H3  H  0  1  N  N  N  -27.290  -6.163   0.232  ?  ?  ?  H3  74C  3  
74C  H4  H4  H  0  1  N  N  N  -27.290  -6.163  -1.638  ?  ?  ?  H4  74C  4  
#   #
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
74C  C  H2  SING  N  N  1  
74C  C  H3  SING  N  N  2  
74C  C  H4  SING  N  N  3  
#   #
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
74C  InChI             InChI                 1.03   InChI=1S/CH4/h1H4            
74C  InChIKey          InChI                 1.03   VNWKTOKETHGBQD-UHFFFAOYSA-N  
74C  SMILES_CANONICAL  CACTVS                3.385  "[CH3]"                      
74C  SMILES            CACTVS                3.385  "[CH3]"                      
74C  SMILES_CANONICAL  "OpenEye OEToolkits"  2.0.5  "[CH3]"                      
74C  SMILES            "OpenEye OEToolkits"  2.0.5  "[CH3]"                      
#
_pdbx_chem_comp_identifier.comp_id          74C
_pdbx_chem_comp_identifier.type             "SYSTEMATIC NAME"
_pdbx_chem_comp_identifier.program          "OpenEye OEToolkits"
_pdbx_chem_comp_identifier.program_version  2.0.5
_pdbx_chem_comp_identifier.identifier       "$l^{3}-carbane"
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
74C  "Create component"  2016-08-23  EBI   
74C  "Initial release"   2017-09-13  RCSB  
##