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                   2011-06-07
_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               12.01  "O=[Mo+6](O)O"  
OMO  InChI             InChI                 1.03   "InChI=1S/Mo.2H2O.O/h;2*1H2;/q+8;;;/p-2"  
OMO  InChIKey          InChI                 1.03   GKDPEXRCAVYDOG-UHFFFAOYSA-L  
OMO  SMILES_CANONICAL  CACTVS                3.370  "O[Mo+6](O)=O"  
OMO  SMILES            CACTVS                3.370  "O[Mo+6](O)=O"  
OMO  SMILES_CANONICAL  "OpenEye OEToolkits"  1.7.2  "O[Mo+6](=O)O"  
OMO  SMILES            "OpenEye OEToolkits"  1.7.2  "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               12.01  "dihydroxy(oxo)molybdenum(6+)"  
OMO  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  1.7.2  "bis(oxidanyl)-oxidanylidene-molybdenum(6+)"  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
OMO  "Create component"   2002-11-14  RCSB  
OMO  "Modify descriptor"  2011-06-04  RCSB  
OMO  "Modify name"        2011-06-07  RCSB  
OMO  "Modify descriptor"  2011-06-07  RCSB  
OMO  "Modify identifier"  2011-06-07  RCSB  
##