data_YIZ
# 
_chem_comp.id                                    YIZ 
_chem_comp.name                                  "4-(acetamidomethyl)-N-hydroxybenzamide" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C10 H12 N2 O3" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2023-02-06 
_chem_comp.pdbx_modified_date                    2023-12-08 
_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                        208.214 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     YIZ 
_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        8G1Z 
_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.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_n_terminal_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 
YIZ C10 C1  C 0 1 N N N N N N 17.690 10.999 -0.608 4.423  -0.186 0.327  C10 YIZ 1  
YIZ C11 C2  C 0 1 N N N N N N 18.025 9.626  -1.183 5.174  -0.473 1.601  C11 YIZ 2  
YIZ C03 C3  C 0 1 N N N N N N 17.528 13.018 6.272  -3.305 0.246  0.184  C03 YIZ 3  
YIZ C04 C4  C 0 1 Y N N N N N 17.129 12.890 4.811  -1.853 0.224  -0.094 C04 YIZ 4  
YIZ C05 C5  C 0 1 Y N N N N N 18.097 12.517 3.890  -1.103 1.397  0.003  C05 YIZ 5  
YIZ C06 C6  C 0 1 Y N N N N N 17.777 12.378 2.559  0.251  1.370  -0.258 C06 YIZ 6  
YIZ C07 C7  C 0 1 Y N N N N N 16.477 12.594 2.146  0.866  0.183  -0.616 C07 YIZ 7  
YIZ C08 C8  C 0 1 N N N N N N 16.120 12.458 0.667  2.346  0.161  -0.900 C08 YIZ 8  
YIZ C13 C9  C 0 1 Y N N N N N 15.508 12.965 3.062  0.128  -0.983 -0.714 C13 YIZ 9  
YIZ C14 C10 C 0 1 Y N N N N N 15.828 13.110 4.404  -1.226 -0.971 -0.450 C14 YIZ 10 
YIZ N02 N1  N 0 1 N N N N N N 18.932 12.905 6.604  -4.027 -0.889 0.089  N02 YIZ 11 
YIZ N09 N2  N 0 1 N N N N N N 16.450 11.153 0.132  3.077  -0.118 0.339  N09 YIZ 12 
YIZ O01 O1  O 0 1 N N N N N N 19.346 13.009 7.943  -5.417 -0.868 0.356  O01 YIZ 13 
YIZ O12 O2  O 0 1 N N N N N N 18.428 11.923 -0.755 5.029  -0.011 -0.709 O12 YIZ 14 
YIZ O15 O3  O 0 1 N N N N N N 16.714 13.176 7.133  -3.848 1.287  0.499  O15 YIZ 15 
YIZ H1  H1  H 0 1 N N N N N N 18.992 9.673  -1.706 4.466  -0.595 2.421  H1  YIZ 16 
YIZ H2  H2  H 0 1 N N N N N N 18.085 8.891  -0.366 5.754  -1.388 1.483  H2  YIZ 17 
YIZ H3  H3  H 0 1 N N N N N N 17.240 9.324  -1.891 5.846  0.357  1.822  H3  YIZ 18 
YIZ H4  H4  H 0 1 N N N N N N 19.109 12.334 4.220  -1.582 2.324  0.282  H4  YIZ 19 
YIZ H5  H5  H 0 1 N N N N N N 18.537 12.102 1.843  0.833  2.277  -0.183 H5  YIZ 20 
YIZ H6  H6  H 0 1 N N N N N N 16.673 13.221 0.100  2.564  -0.616 -1.633 H6  YIZ 21 
YIZ H7  H7  H 0 1 N N N N N N 15.039 12.624 0.549  2.655  1.129  -1.294 H7  YIZ 22 
YIZ H8  H8  H 0 1 N N N N N N 14.496 13.143 2.730  0.614  -1.906 -0.994 H8  YIZ 23 
YIZ H9  H9  H 0 1 N N N N N N 15.070 13.391 5.120  -1.800 -1.882 -0.527 H9  YIZ 24 
YIZ H10 H10 H 0 1 N N N N N N 19.607 12.753 5.882  -3.593 -1.719 -0.162 H10 YIZ 25 
YIZ H11 H11 H 0 1 N N N N N N 15.837 10.375 0.269  2.592  -0.254 1.168  H11 YIZ 26 
YIZ H12 H12 H 0 1 N N N N N N 18.588 13.142 8.500  -5.848 -1.728 0.262  H12 YIZ 27 
# 
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 
YIZ C11 C10 SING N N 1  
YIZ O12 C10 DOUB N N 2  
YIZ C10 N09 SING N N 3  
YIZ N09 C08 SING N N 4  
YIZ C08 C07 SING N N 5  
YIZ C07 C06 DOUB Y N 6  
YIZ C07 C13 SING Y N 7  
YIZ C06 C05 SING Y N 8  
YIZ C13 C14 DOUB Y N 9  
YIZ C05 C04 DOUB Y N 10 
YIZ C14 C04 SING Y N 11 
YIZ C04 C03 SING N N 12 
YIZ C03 N02 SING N N 13 
YIZ C03 O15 DOUB N N 14 
YIZ N02 O01 SING N N 15 
YIZ C11 H1  SING N N 16 
YIZ C11 H2  SING N N 17 
YIZ C11 H3  SING N N 18 
YIZ C05 H4  SING N N 19 
YIZ C06 H5  SING N N 20 
YIZ C08 H6  SING N N 21 
YIZ C08 H7  SING N N 22 
YIZ C13 H8  SING N N 23 
YIZ C14 H9  SING N N 24 
YIZ N02 H10 SING N N 25 
YIZ N09 H11 SING N N 26 
YIZ O01 H12 SING N N 27 
# 
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 
YIZ SMILES           ACDLabs              12.01 "ONC(=O)c1ccc(CNC(C)=O)cc1"                                                                      
YIZ InChI            InChI                1.06  "InChI=1S/C10H12N2O3/c1-7(13)11-6-8-2-4-9(5-3-8)10(14)12-15/h2-5,15H,6H2,1H3,(H,11,13)(H,12,14)" 
YIZ InChIKey         InChI                1.06  DWOKCNQEXSKNLD-UHFFFAOYSA-N                                                                      
YIZ SMILES_CANONICAL CACTVS               3.385 "CC(=O)NCc1ccc(cc1)C(=O)NO"                                                                      
YIZ SMILES           CACTVS               3.385 "CC(=O)NCc1ccc(cc1)C(=O)NO"                                                                      
YIZ SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CC(=O)NCc1ccc(cc1)C(=O)NO"                                                                      
YIZ SMILES           "OpenEye OEToolkits" 2.0.7 "CC(=O)NCc1ccc(cc1)C(=O)NO"                                                                      
# 
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 
YIZ "SYSTEMATIC NAME" ACDLabs              12.01 "4-(acetamidomethyl)-N-hydroxybenzamide"      
YIZ "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "4-(acetamidomethyl)-~{N}-oxidanyl-benzamide" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
YIZ "Create component" 2023-02-06 RCSB 
YIZ "Initial release"  2023-12-13 RCSB 
# 
