data_8AR
# 
_chem_comp.id                                    8AR 
_chem_comp.name                                  "hydrogen arsenate" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "As H O4" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    -2 
_chem_comp.pdbx_initial_date                     2012-08-03 
_chem_comp.pdbx_modified_date                    2012-08-31 
_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                        139.927 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     8AR 
_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        4F19 
_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 
8AR AS  AS  AS 0  0 N N N -7.426 -0.716 23.011 -0.027 0.001  0.000  AS  8AR 1 
8AR O1  O1  O  -1 1 N N N -6.160 -1.756 23.097 -0.431 -0.928 1.432  O1  8AR 2 
8AR O2  O2  O  0  1 N N N -8.031 -0.737 21.425 1.775  0.375  0.000  O2  8AR 3 
8AR O3  O3  O  -1 1 N N N -8.659 -1.185 23.988 -0.431 -0.927 -1.433 O3  8AR 4 
8AR O4  O4  O  0  1 N N N -6.947 0.837  23.365 -0.935 1.502  0.000  O4  8AR 5 
8AR HO2 HO2 H  0  1 N N N -8.941 -1.011 21.436 2.340  -0.410 -0.000 HO2 8AR 6 
# 
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 
8AR AS O1  SING N N 1 
8AR AS O2  SING N N 2 
8AR AS O3  SING N N 3 
8AR AS O4  DOUB N N 4 
8AR O2 HO2 SING N N 5 
# 
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 
8AR SMILES           ACDLabs              12.01 "[O-][As]([O-])(=O)O"                          
8AR InChI            InChI                1.03  "InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)/p-2" 
8AR InChIKey         InChI                1.03  DJHGAFSJWGLOIV-UHFFFAOYSA-L                    
8AR SMILES_CANONICAL CACTVS               3.370 "O[As]([O-])([O-])=O"                          
8AR SMILES           CACTVS               3.370 "O[As]([O-])([O-])=O"                          
8AR SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "O[As](=O)([O-])[O-]"                          
8AR SMILES           "OpenEye OEToolkits" 1.7.6 "O[As](=O)([O-])[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 
8AR "SYSTEMATIC NAME" ACDLabs              12.01 "hydrogen arsenate" 
8AR "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "hydrogen arsorate" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
8AR "Create component" 2012-08-03 RCSB 
8AR "Initial release"  2012-08-31 RCSB 
#