data_UJI
# 
_chem_comp.id                                    UJI 
_chem_comp.name                                  "tetrakis(oxidanyl)antimony" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "H4 O4 Sb" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "antimony oxyanion" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2023-02-06 
_chem_comp.pdbx_modified_date                    2023-07-07 
_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                        189.789 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     UJI 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        8CGS 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBE 
# 
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 
UJI O01  O1  O  0 1 N N N 80.670 -14.298 13.181 0.782  0.000  -1.877 O01  UJI 1 
UJI SB02 SB1 SB 0 0 N N N 79.663 -13.316 11.735 -0.007 -0.000 0.004  SB02 UJI 2 
UJI O03  O2  O  0 1 N N N 78.543 -12.478 13.232 0.617  1.666  1.003  O03  UJI 3 
UJI O04  O3  O  0 1 N N N 78.326 -13.071 10.582 -2.044 -0.000 -0.112 O04  UJI 4 
UJI O05  O4  O  0 1 N N N 80.752 -11.839 12.122 0.617  -1.666 1.003  O05  UJI 5 
UJI H1   H1  H  0 1 N N N 81.342 -14.842 12.786 1.749  0.000  -1.898 H1   UJI 6 
UJI H2   H2  H  0 1 N N N 77.897 -11.893 12.855 0.355  2.497  0.584  H2   UJI 7 
UJI H3   H3  H  0 1 N N N 78.466 -12.264 10.100 -2.411 -0.765 -0.576 H3   UJI 8 
UJI H4   H4  H  0 1 N N N 80.517 -11.114 11.555 1.577  -1.732 1.096  H4   UJI 9 
# 
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 
UJI O01  SB02 SING N N 1 
UJI SB02 O03  SING N N 2 
UJI SB02 O04  SING N N 3 
UJI SB02 O05  SING N N 4 
UJI O01  H1   SING N N 5 
UJI O03  H2   SING N N 6 
UJI O04  H3   SING N N 7 
UJI O05  H4   SING N N 8 
# 
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 
UJI InChI            InChI                1.06  InChI=1S/4H2O.Sb.H/h4*1H2;;/q;;;;+4;/p-4 
UJI InChIKey         InChI                1.06  JMPYBWKBSUDWDS-UHFFFAOYSA-J              
UJI SMILES_CANONICAL CACTVS               3.385 "O[Sb](O)(O)O"                           
UJI SMILES           CACTVS               3.385 "O[Sb](O)(O)O"                           
UJI SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "O[Sb](O)(O)O"                           
UJI SMILES           "OpenEye OEToolkits" 2.0.7 "O[Sb](O)(O)O"                           
# 
_pdbx_chem_comp_identifier.comp_id           UJI 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   2.0.7 
_pdbx_chem_comp_identifier.identifier        "tetrakis(oxidanyl)antimony" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
UJI "Create component" 2023-02-06 PDBE 
UJI "Initial release"  2023-07-12 RCSB 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      UJI 
_pdbx_chem_comp_synonyms.name         "antimony oxyanion" 
_pdbx_chem_comp_synonyms.provenance   AUTHOR 
_pdbx_chem_comp_synonyms.type         ? 
# 
