data_OXO
# 
_chem_comp.id                                    OXO 
_chem_comp.name                                  "OXO GROUP" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               O 
_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                      O 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        15.999 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     OXO 
_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   N 
_chem_comp.pdbx_model_coordinates_db_code        ? 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
_chem_comp_atom.comp_id                    OXO 
_chem_comp_atom.atom_id                    O 
_chem_comp_atom.alt_atom_id                O 
_chem_comp_atom.type_symbol                O 
_chem_comp_atom.charge                     0 
_chem_comp_atom.pdbx_align                 1 
_chem_comp_atom.pdbx_aromatic_flag         N 
_chem_comp_atom.pdbx_leaving_atom_flag     N 
_chem_comp_atom.pdbx_stereo_config         N 
_chem_comp_atom.model_Cartn_x              0.000 
_chem_comp_atom.model_Cartn_y              0.000 
_chem_comp_atom.model_Cartn_z              0.000 
_chem_comp_atom.pdbx_model_Cartn_x_ideal   -0.064 
_chem_comp_atom.pdbx_model_Cartn_y_ideal   0.000 
_chem_comp_atom.pdbx_model_Cartn_z_ideal   0.000 
_chem_comp_atom.pdbx_component_atom_id     O 
_chem_comp_atom.pdbx_component_comp_id     OXO 
_chem_comp_atom.pdbx_ordinal               1 
# 
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 
OXO SMILES           ACDLabs              10.04 O                         
OXO InChI            InChI                1.02b InChI=1/H2O/h1H2          
OXO InChIKey         InChI                1.02b XLYOFNOQVPJJNP-UHFFFAOYAF 
OXO SMILES_CANONICAL CACTVS               3.341 "[O]"                     
OXO SMILES           CACTVS               3.341 "[O]"                     
OXO SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 O                         
OXO SMILES           "OpenEye OEToolkits" 1.5.0 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 
OXO "SYSTEMATIC NAME" ACDLabs              10.04 water   
OXO "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 oxidane 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
OXO "Create component" 1999-07-08 RCSB 
#