data_OMO
# 
_chem_comp.id                                    OMO 
_chem_comp.name                                  "MO(VI)(=O)(OH)2 CLUSTER" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "H2 Mo O3" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    6 
_chem_comp.pdbx_initial_date                     2002-11-14 
_chem_comp.pdbx_modified_date                    2008-10-14 
_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                        145.954 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     OMO 
_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        1N60 
_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 
OMO OM1 OM1 O  0 1 N N N 96.975 145.139 146.158 ? ? ? OM1 OMO 1 
OMO MO  MO  MO 6 0 N N N 96.336 143.565 146.070 ? ? ? MO  OMO 2 
OMO OR1 OR1 O  0 1 N N N 96.962 142.786 144.565 ? ? ? OR1 OMO 3 
OMO OM2 OM2 O  0 1 N N N 97.169 142.526 147.265 ? ? ? OM2 OMO 4 
OMO HO1 HO1 H  0 1 N N N 96.605 141.907 144.515 ? ? ? HO1 OMO 5 
OMO HO2 HO2 H  0 1 N N N 96.812 141.647 147.215 ? ? ? HO2 OMO 6 
# 
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 
OMO OM1 MO  DOUB N N 1 
OMO MO  OR1 SING N N 2 
OMO MO  OM2 SING N N 3 
OMO OR1 HO1 SING N N 4 
OMO OM2 HO2 SING N N 5 
# 
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 
OMO SMILES           ACDLabs              10.04 O=[Mo](O)O                                                                              
OMO InChI            InChI                1.02b InChI=1/Mo.2H2O.O/h;2*1H2;/q+2;;;/p-2/fMo.2HO.O/h;2*1h;/qm;2*-1;/rH2MoO3/c2-1(3)4/h2-3H 
OMO InChIKey         InChI                1.02b FQHKGOPSDNULBE-APETYJJOCI                                                               
OMO SMILES_CANONICAL CACTVS               3.341 O[Mo](O)=O                                                                              
OMO SMILES           CACTVS               3.341 O[Mo](O)=O                                                                              
OMO SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 O[Mo+6](=O)O                                                                            
OMO SMILES           "OpenEye OEToolkits" 1.5.0 O[Mo+6](=O)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 
OMO "SYSTEMATIC NAME" ACDLabs              10.04 dihydroxy(oxo)molybdenum 
OMO "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 dihydroxy-oxo-molybdenum 
# 
