data_EFK
# 
_chem_comp.id                                    EFK 
_chem_comp.name                                  "oxidanyl(oxidanylidene)molybdenum" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "H Mo O2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2018-03-16 
_chem_comp.pdbx_modified_date                    2018-10-26 
_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                        128.947 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     EFK 
_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   N 
_chem_comp.pdbx_model_coordinates_db_code        6FW2 
_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 
EFK MO  MO1 MO 0 0 N N N -5.524 -2.426 -17.304 -0.068 -0.230 0.000  MO  EFK 1 
EFK OT1 O1  O  0 1 N N N -3.908 -2.069 -16.891 -1.494 0.774  -0.000 OT1 EFK 2 
EFK OT2 O2  O  0 1 N N N -6.228 -2.395 -18.884 1.747  0.610  -0.000 OT2 EFK 3 
EFK H1  H1  H  0 1 N N N -5.569 -2.142 -19.520 2.475  -0.026 -0.000 H1  EFK 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 
EFK OT2 MO  SING N N 1 
EFK MO  OT1 DOUB N N 2 
EFK OT2 H1  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 
EFK InChI            InChI                1.03  InChI=1S/Mo.H2O.O/h;1H2;/q+1;;/p-1 
EFK InChIKey         InChI                1.03  VEWPYRVWJVBLDN-UHFFFAOYSA-M        
EFK SMILES_CANONICAL CACTVS               3.385 "O[Mo]=O"                          
EFK SMILES           CACTVS               3.385 "O[Mo]=O"                          
EFK SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "O[Mo]=O"                          
EFK SMILES           "OpenEye OEToolkits" 2.0.6 "O[Mo]=O"                          
# 
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 
EFK "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.6 "oxidanyl(oxidanylidene)molybdenum" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
EFK "Create component" 2018-03-16 EBI  
EFK "Initial release"  2018-10-31 RCSB 
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