data_SE4
# 
_chem_comp.id                                    SE4 
_chem_comp.name                                  "SELENATE ION" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAI 
_chem_comp.formula                               "O4 Se" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    -2 
_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                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        142.958 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     SE4 
_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        1FGA 
_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 
SE4 SE SE SE 0  0 N N N 34.955 14.502 18.977 ? ? ? SE SE4 1 
SE4 O1 O1 O  0  1 N N N 36.182 15.090 19.715 ? ? ? O1 SE4 2 
SE4 O2 O2 O  0  1 N N N 33.788 15.532 19.071 ? ? ? O2 SE4 3 
SE4 O3 O3 O  -1 1 N N N 34.555 13.251 19.707 ? ? ? O3 SE4 4 
SE4 O4 O4 O  -1 1 N N N 35.339 14.219 17.533 ? ? ? O4 SE4 5 
# 
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 
SE4 SE O1 DOUB N N 1 
SE4 SE O2 DOUB N N 2 
SE4 SE O3 SING N N 3 
SE4 SE O4 SING N N 4 
# 
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 
SE4 SMILES           ACDLabs              10.04 [O-][Se]([O-])(=O)=O                                  
SE4 InChI            InChI                1.02b InChI=1/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)/p-2/fO4Se/q-2 
SE4 InChIKey         InChI                1.02b QYHFIVBSNOWOCQ-VMRORRRTCU                             
SE4 SMILES_CANONICAL CACTVS               3.341 [O-][Se]([O-])(=O)=O                                  
SE4 SMILES           CACTVS               3.341 [O-][Se]([O-])(=O)=O                                  
SE4 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 [O-][Se](=O)(=O)[O-]                                  
SE4 SMILES           "OpenEye OEToolkits" 1.5.0 [O-][Se](=O)(=O)[O-]                                  
# 
_pdbx_chem_comp_identifier.comp_id           SE4 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           ACDLabs 
_pdbx_chem_comp_identifier.program_version   10.04 
_pdbx_chem_comp_identifier.identifier        selenate 
# 
