data_PO2
# 
_chem_comp.id                                    PO2 
_chem_comp.name                                  HYPOPHOSPHITE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "O2 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    -1 
_chem_comp.pdbx_initial_date                     2001-05-14 
_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                        62.973 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     PO2 
_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        1H4K 
_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 
PO2 P  P  P 0  1 N N N 23.463 19.775 22.096 0.000  -0.404 0.000 P  PO2 1 
PO2 O1 O1 O -1 1 N N N 22.558 20.099 23.497 1.379  0.391  0.000 O1 PO2 2 
PO2 O2 O2 O 0  1 N N N 24.026 18.457 21.964 -1.379 0.391  0.000 O2 PO2 3 
# 
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 
PO2 P O1 SING N N 1 
PO2 P O2 DOUB N N 2 
# 
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 
PO2 InChI            InChI                1.02b InChI=1/HO2P/c1-3-2/h(H,1,2)/p-1/fO2P/q-1 
PO2 InChIKey         InChI                1.02b GQZXNSPRSGFJLY-MCURCQAJCJ                 
PO2 SMILES_CANONICAL CACTVS               3.341 [O-]P=O                                   
PO2 SMILES           CACTVS               3.341 [O-]P=O                                   
PO2 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 [O-]P=O                                   
PO2 SMILES           "OpenEye OEToolkits" 1.5.0 [O-]P=O                                   
# 
