data_V4O # _chem_comp.id V4O _chem_comp.name CYCLO-TETRAMETAVANADATE _chem_comp.type non-polymer _chem_comp.pdbx_type HETAIN _chem_comp.formula "O12 V4" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge -4 _chem_comp.pdbx_initial_date 2000-07-20 _chem_comp.pdbx_modified_date 2025-11-10 _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 395.759 _chem_comp.one_letter_code ? _chem_comp.three_letter_code V4O _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 1L7V _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site RCSB _chem_comp.pdbx_pcm ? # 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.pdbx_n_terminal_atom_flag _chem_comp_atom.pdbx_backbone_atom_flag _chem_comp_atom.pdbx_c_terminal_atom_flag _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 V4O V1 V1 V 0 1 N N N N N N 87.276 53.347 59.604 0.007 -2.134 0.006 V1 V4O 1 V4O O0 O1 O 0 1 N N N N N N 87.665 54.802 59.128 1.075 -2.967 1.053 O0 V4O 2 V4O O1 O2 O -1 1 N N N N N N 88.527 52.429 59.108 -0.755 -3.257 -1.037 O1 V4O 3 V4O V2 V2 V 0 1 N N N N N N 84.243 51.980 58.896 2.188 0.043 -0.015 V2 V4O 4 V4O O2 O3 O 0 1 N N N N N N 82.968 52.985 58.668 3.067 -1.013 1.005 O2 V4O 5 V4O O3 O4 O 0 1 N N N N N N 85.749 52.798 58.842 0.962 -0.920 -1.000 O3 V4O 6 V4O O4 O5 O -1 1 N N N N N N 84.199 50.878 57.717 3.262 0.859 -1.069 O4 V4O 7 V4O V3 V3 V 0 1 N N N N N N 83.943 51.198 62.281 -0.058 2.175 0.126 V3 V4O 8 V4O O5 O6 O 0 1 N N N N N N 82.692 52.117 62.778 0.136 3.854 0.395 O5 V4O 9 V4O O6 O7 O 0 1 N N N N N N 84.071 51.236 60.533 1.268 1.267 1.003 O6 V4O 10 V4O O7 O8 O -1 1 N N N N N N 83.553 49.743 62.758 0.052 1.855 -1.552 O7 V4O 11 V4O V4 V4 V 0 1 N N N N N N 86.974 52.564 62.989 -2.228 0.003 0.096 V4 V4O 12 V4O O8 O9 O 0 1 N N N N N N 85.470 51.747 63.044 -1.714 1.648 0.738 O8 V4O 13 V4O O9 O10 O 0 1 N N N N N N 87.147 53.308 61.354 -1.265 -1.270 0.999 O9 V4O 14 V4O O10 O11 O 0 1 N N N N N N 87.019 53.667 64.169 -3.901 -0.232 0.372 O10 V4O 15 V4O O11 O12 O -1 1 N N N N N N 88.250 51.560 63.216 -1.896 -0.097 -1.580 O11 V4O 16 # 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 V4O O4 V2 SING N N 1 V4O O2 V2 DOUB N N 2 V4O O3 V2 SING N N 3 V4O O3 V1 SING N N 4 V4O V2 O6 SING N N 5 V4O O1 V1 SING N N 6 V4O O0 V1 DOUB N N 7 V4O V1 O9 SING N N 8 V4O O6 V3 SING N N 9 V4O O9 V4 SING N N 10 V4O V3 O7 SING N N 11 V4O V3 O5 DOUB N N 12 V4O V3 O8 SING N N 13 V4O V4 O8 SING N N 14 V4O V4 O11 SING N N 15 V4O V4 O10 DOUB N N 16 # 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 V4O InChI InChI 1.06 InChI=1S/12O.4V/q;;;;;;;;4*-1;;;; V4O InChIKey InChI 1.06 ACTPEXQBEHJTBO-UHFFFAOYSA-N V4O SMILES_CANONICAL CACTVS 3.385 "[O-][V]1(=O)O[V]([O-])(=O)O[V]([O-])(=O)O[V]([O-])(=O)O1" V4O SMILES CACTVS 3.385 "[O-][V]1(=O)O[V]([O-])(=O)O[V]([O-])(=O)O[V]([O-])(=O)O1" V4O SMILES_CANONICAL "OpenEye OEToolkits" 3.1.0.0 "[O-][V]1(=O)O[V](=O)(O[V](=O)(O[V](=O)(O1)[O-])[O-])[O-]" V4O SMILES "OpenEye OEToolkits" 3.1.0.0 "[O-][V]1(=O)O[V](=O)(O[V](=O)(O[V](=O)(O1)[O-])[O-])[O-]" # _pdbx_chem_comp_identifier.comp_id V4O _pdbx_chem_comp_identifier.type "SYSTEMATIC NAME" _pdbx_chem_comp_identifier.program "OpenEye OEToolkits" _pdbx_chem_comp_identifier.program_version 3.1.0.0 _pdbx_chem_comp_identifier.identifier "2,4,6,8-tetrakis(oxidanidyl)-1,3,5,7-tetraoxa-2$l^{5},4$l^{5},6$l^{5},8$l^{5}-tetravanadacyclooctane 2,4,6,8-tetraoxide" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site V4O "Create component" 2000-07-20 RCSB V4O "Modify descriptor" 2011-06-04 RCSB V4O "Modify descriptor" 2011-06-07 RCSB V4O "Modify identifier" 2011-06-07 RCSB V4O "Other modification" 2025-11-10 RCSB #