data_OHX
#

_chem_comp.id                                   OHX
_chem_comp.name                                 "osmium (III) hexammine"
_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "H12 N6 Os"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        "osmium(6+) hexaazanide"
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2010-11-30
_chem_comp.pdbx_modified_date                   2021-03-01
_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                       286.365
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    OHX
_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       3O2Z
_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
OHX  OS    OS    OS  0  0  N  N  N  74.130  -4.476  29.666   0.001   0.004   0.004  OS    OHX   1  
OHX  N1    N1    N   0  1  N  N  N  75.095  -3.326  28.663  -0.901   1.806   0.559  N1    OHX   2  
OHX  N2    N2    N   0  1  N  N  N  73.722  -5.298  28.119   1.284   1.041  -1.279  N2    OHX   3  
OHX  N3    N3    N   0  1  N  N  N  74.504  -3.657  31.241  -1.282  -1.033   1.287  N3    OHX   4  
OHX  N4    N4    N   0  1  N  N  N  75.513  -5.614  29.839   1.382   0.216   1.558  N4    OHX   5  
OHX  N5    N5    N   0  1  N  N  N  72.720  -3.379  29.418  -1.381  -0.209  -1.550  N5    OHX   6  
OHX  N6    N6    N   0  1  N  N  N  73.216  -5.659  30.665   0.902  -1.798  -0.551  N6    OHX   7  
OHX  HN1   HN1   H   0  1  N  N  N  75.521  -2.642  29.256  -0.608   2.558  -0.046  HN1   OHX   8  
OHX  HN1A  HN1A  H   0  0  N  N  N  75.805  -3.829  28.170  -1.906   1.719   0.569  HN1A  OHX   9  
OHX  HN2   HN2   H   0  1  N  N  N  73.127  -6.081  28.304   1.227   2.036  -1.121  HN2   OHX  10  
OHX  HN2A  HN2A  H   0  0  N  N  N  73.250  -4.656  27.515   2.234   0.714  -1.182  HN2A  OHX  11  
OHX  HN3   HN3   H   0  1  N  N  N  75.427  -3.273  31.207  -2.232  -0.706   1.190  HN3   OHX  12  
OHX  HN3A  HN3A  H   0  0  N  N  N  73.843  -2.923  31.400  -1.225  -2.029   1.129  HN3A  OHX  13  
OHX  HN4   HN4   H   0  1  N  N  N  76.007  -5.413  30.685   1.132  -0.362   2.346  HN4   OHX  14  
OHX  HN4A  HN4A  H   0  0  N  N  N  75.170  -6.553  29.868   2.318   0.009   1.241  HN4A  OHX  15  
OHX  HN5   HN5   H   0  1  N  N  N  72.660  -2.735  30.181  -1.332  -1.132  -1.954  HN5   OHX  16  
OHX  HN5A  HN5A  H   0  0  N  N  N  72.838  -2.873  28.563  -2.316  -0.002  -1.233  HN5A  OHX  17  
OHX  HN6   HN6   H   0  1  N  N  N  73.290  -5.409  31.630   0.558  -2.114  -1.446  HN6   OHX  18  
OHX  HN6A  HN6A  H   0  0  N  N  N  72.254  -5.653  30.392   1.908  -1.712  -0.561  HN6A  OHX  19  
#   #
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
OHX  N2  OS    SING  N  N   1  
OHX  N1  OS    SING  N  N   2  
OHX  N5  OS    SING  N  N   3  
OHX  OS  N4    SING  N  N   4  
OHX  OS  N6    SING  N  N   5  
OHX  OS  N3    SING  N  N   6  
OHX  N1  HN1   SING  N  N   7  
OHX  N1  HN1A  SING  N  N   8  
OHX  N2  HN2   SING  N  N   9  
OHX  N2  HN2A  SING  N  N  10  
OHX  N3  HN3   SING  N  N  11  
OHX  N3  HN3A  SING  N  N  12  
OHX  N4  HN4   SING  N  N  13  
OHX  N4  HN4A  SING  N  N  14  
OHX  N5  HN5   SING  N  N  15  
OHX  N5  HN5A  SING  N  N  16  
OHX  N6  HN6   SING  N  N  17  
OHX  N6  HN6A  SING  N  N  18  
#   #
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
OHX  SMILES            ACDLabs               12.01  "N[Os](N)(N)(N)(N)N"  
OHX  SMILES_CANONICAL  CACTVS                3.370  "N[Os](N)(N)(N)(N)N"  
OHX  SMILES            CACTVS                3.370  "N[Os](N)(N)(N)(N)N"  
OHX  SMILES_CANONICAL  "OpenEye OEToolkits"  1.7.0  "N[Os](N)(N)(N)(N)N"  
OHX  SMILES            "OpenEye OEToolkits"  1.7.0  "N[Os](N)(N)(N)(N)N"  
OHX  InChI             InChI                 1.03   "InChI=1S/6H2N.Os/h6*1H2;/q6*-1;+6"  
OHX  InChIKey          InChI                 1.03   OWCQTVJQFLTQTE-UHFFFAOYSA-N  
#   #
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
OHX  "SYSTEMATIC NAME"  ACDLabs               12.01  "osmium(6+) hexaazanide"  
OHX  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  1.7.0  "hexakis(azanyl)osmium"  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
OHX  "Create component"   2010-11-30  RCSB  
OHX  "Modify descriptor"  2011-06-04  RCSB  
OHX  "Modify synonyms"    2021-03-01  PDBE  
#
_pdbx_chem_comp_synonyms.ordinal     1
_pdbx_chem_comp_synonyms.comp_id     OHX
_pdbx_chem_comp_synonyms.name        "osmium(6+) hexaazanide"
_pdbx_chem_comp_synonyms.provenance  ?
_pdbx_chem_comp_synonyms.type        ?
##
