data_DOZ
#

_chem_comp.id                                   DOZ
_chem_comp.name                                 "(dimethylamino)(hydroxy)zinc'"
_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C2 H7 N O Zn"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        "zinc hydroxide dimethylazanide"
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2007-10-03
_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                       126.492
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    DOZ
_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       2Z9K
_chem_comp.pdbx_subcomponent_list               ?
_chem_comp.pdbx_processing_site                 PDBJ
#   #
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
DOZ  ZN   ZN   ZN  0  0  N  N  N  33.603  -26.958  -8.187  -0.542   0.012  -0.068  ZN   DOZ   1  
DOZ  N2   N2   N   0  1  N  N  N  34.346  -25.155  -7.918   1.222  -0.009  -0.368  N2   DOZ   2  
DOZ  O4   O4   O   0  1  N  N  N  33.183  -27.630  -6.449  -2.218   0.032   0.217  O4   DOZ   3  
DOZ  C6   C6   C   0  1  N  N  N  34.730  -24.571  -9.225   1.863   1.196   0.177  C6   DOZ   4  
DOZ  C8   C8   C   0  1  N  N  N  35.520  -25.240  -7.029   1.835  -1.225   0.182  C8   DOZ   5  
DOZ  H4   H4   H   0  1  N  N  N  33.113  -28.577  -6.483  -2.684  -0.743  -0.124  H4   DOZ   6  
DOZ  H61  H61  H   0  1  N  N  N  34.825  -23.480  -9.126   1.692   1.244   1.252  H61  DOZ   7  
DOZ  H62  H62  H   0  1  N  N  N  35.692  -24.995  -9.547   2.934   1.158  -0.019  H62  DOZ   8  
DOZ  H63  H63  H   0  1  N  N  N  33.957  -24.805  -9.972   1.438   2.080  -0.299  H63  DOZ   9  
DOZ  H81  H81  H   0  1  N  N  N  36.438  -25.261  -7.634   1.390  -2.101  -0.289  H81  DOZ  10  
DOZ  H82  H82  H   0  1  N  N  N  35.540  -24.364  -6.363   2.908  -1.212  -0.014  H82  DOZ  11  
DOZ  H83  H83  H   0  1  N  N  N  35.457  -26.158  -6.426   1.663  -1.265   1.258  H83  DOZ  12  
#   #
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
DOZ  ZN  N2   SING  N  N   1  
DOZ  ZN  O4   SING  N  N   2  
DOZ  N2  C6   SING  N  N   3  
DOZ  N2  C8   SING  N  N   4  
DOZ  O4  H4   SING  N  N   5  
DOZ  C6  H61  SING  N  N   6  
DOZ  C6  H62  SING  N  N   7  
DOZ  C6  H63  SING  N  N   8  
DOZ  C8  H81  SING  N  N   9  
DOZ  C8  H82  SING  N  N  10  
DOZ  C8  H83  SING  N  N  11  
#   #
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
DOZ  SMILES            ACDLabs               10.04  "O[Zn]N(C)C"  
DOZ  SMILES_CANONICAL  CACTVS                3.341  "CN(C)[Zn]O"  
DOZ  SMILES            CACTVS                3.341  "CN(C)[Zn]O"  
DOZ  SMILES_CANONICAL  "OpenEye OEToolkits"  1.5.0  "CN(C)[Zn]O"  
DOZ  SMILES            "OpenEye OEToolkits"  1.5.0  "CN(C)[Zn]O"  
DOZ  InChI             InChI                 1.03   "InChI=1S/C2H6N.H2O.Zn/c1-3-2;;/h1-2H3;1H2;/q-1;;+2/p-1"  
DOZ  InChIKey          InChI                 1.03   CDZLGJBBWRJQTP-UHFFFAOYSA-M  
#   #
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
DOZ  "SYSTEMATIC NAME"  ACDLabs               10.04  "zinc hydroxide dimethylazanide"  
DOZ  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  1.5.0  dimethylamino-hydroxy-zinc  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
DOZ  "Create component"   2007-10-03  PDBJ  
DOZ  "Modify descriptor"  2011-06-04  RCSB  
DOZ  "Modify synonyms"    2021-03-01  PDBE  
#
_pdbx_chem_comp_synonyms.ordinal     1
_pdbx_chem_comp_synonyms.comp_id     DOZ
_pdbx_chem_comp_synonyms.name        "zinc hydroxide dimethylazanide"
_pdbx_chem_comp_synonyms.provenance  ?
_pdbx_chem_comp_synonyms.type        ?
##