data_TE6
# 
_chem_comp.id                                    TE6 
_chem_comp.name                                  "Orthotelluric acid" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "H6 O6 Te" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2010-02-25 
_chem_comp.pdbx_modified_date                    2011-06-04 
_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                        229.644 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     TE6 
_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        3LK8 
_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 
TE6 TE1  TE1  TE 0 0 N N N 0.083  -0.087 0.001  -0.004 0.002  0.004  TE1  TE6 1  
TE6 O1   O1   O  0 1 N N N 0.171  -2.021 0.198  0.639  1.818  -0.638 O1   TE6 2  
TE6 O2   O2   O  0 1 N N N -0.001 1.851  -0.167 -0.646 -1.813 0.645  O2   TE6 3  
TE6 O3   O3   O  0 1 N N N -1.855 -0.187 -0.157 1.432  0.002  1.439  O3   TE6 4  
TE6 HO1  HO1  H  0 1 N N N 0.063  -2.432 -0.652 1.600  1.890  -0.716 HO1  TE6 5  
TE6 HO1A HO1A H  0 0 N N N 0.877  2.212  -0.122 -0.817 -2.444 -0.068 HO1A TE6 6  
TE6 HO2  HO2  H  0 1 N N N -2.131 -1.095 -0.105 1.908  -0.837 1.519  HO2  TE6 7  
TE6 O4   O4   O  0 1 N N N -0.070 0.088  1.934  -1.287 0.910  1.288  O4   TE6 8  
TE6 O5   O5   O  0 1 N N N 0.289  -0.259 -1.927 1.280  -0.905 -1.281 O5   TE6 9  
TE6 O6   O6   O  0 1 N Y N 2.018  0.017  0.187  -1.439 0.003  -1.432 O6   TE6 10 
TE6 HO3  HO3  H  0 1 N N N -0.057 -0.774 2.333  -1.780 1.645  0.898  HO3  TE6 11 
TE6 HO3A HO3A H  0 0 N N N 0.361  -1.178 -2.158 2.168  -0.523 -1.286 HO3A TE6 12 
TE6 HO4  HO4  H  0 1 N Y N 2.374  -0.857 0.295  -2.310 -0.276 -1.117 HO4  TE6 13 
# 
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 
TE6 TE1 O2   SING N N 1  
TE6 O1  HO1  SING N N 2  
TE6 O2  HO1A SING N N 3  
TE6 O3  TE1  SING N N 4  
TE6 O3  HO2  SING N N 5  
TE6 TE1 O1   SING N N 6  
TE6 TE1 O4   SING N N 7  
TE6 TE1 O5   SING N N 8  
TE6 TE1 O6   SING N N 9  
TE6 O4  HO3  SING N N 10 
TE6 O5  HO3A SING N N 11 
TE6 O6  HO4  SING N N 12 
# 
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 
TE6 SMILES_CANONICAL CACTVS               3.352 "O[Te](O)(O)(O)(O)O"                   
TE6 SMILES           CACTVS               3.352 "O[Te](O)(O)(O)(O)O"                   
TE6 SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "O[Te](O)(O)(O)(O)O"                   
TE6 SMILES           "OpenEye OEToolkits" 1.7.0 "O[Te](O)(O)(O)(O)O"                   
TE6 InChI            InChI                1.03  "InChI=1S/H6O6Te/c1-7(2,3,4,5)6/h1-6H" 
TE6 InChIKey         InChI                1.03  FXADMRZICBQPQY-UHFFFAOYSA-N            
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
TE6 "Create component"  2010-02-25 RCSB 
TE6 "Modify descriptor" 2011-06-04 RCSB 
# 
