data_A1L2G
# 
_chem_comp.id                                    A1L2G 
_chem_comp.name                                  O-tert-Butylhydroxylamine 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C4 H11 N O" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-06-17 
_chem_comp.pdbx_modified_date                    2025-06-13 
_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                        89.136 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1L2G 
_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        8ZXU 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBJ 
_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 
A1L2G C01 C1  C 0 1 N N N N N N 22.201 -44.941 54.752 -0.471 0.909  1.230  C01 A1L2G 1  
A1L2G C02 C2  C 0 1 N N N N N N 23.491 -44.680 55.453 -0.434 0.000  -0.000 C02 A1L2G 2  
A1L2G C03 C3  C 0 1 N N N N N N 23.421 -45.654 56.677 -0.421 -1.463 0.447  C03 A1L2G 3  
A1L2G C04 C4  C 0 1 N N N N N N 24.688 -44.916 54.464 -1.671 0.259  -0.863 C04 A1L2G 4  
A1L2G O05 O1  O 0 1 N N N N N N 23.582 -43.238 55.754 0.743  0.277  -0.761 O05 A1L2G 5  
A1L2G N06 N1  N 0 1 N N N N N N 23.221 -42.580 57.153 1.990  0.061  -0.027 N06 A1L2G 6  
A1L2G H01 H1  H 0 1 N N N N N N 21.365 -44.775 55.447 -0.481 1.951  0.912  H01 A1L2G 7  
A1L2G H02 H2  H 0 1 N N N N N N 22.105 -44.259 53.894 -1.370 0.698  1.811  H02 A1L2G 8  
A1L2G H03 H3  H 0 1 N N N N N N 22.181 -45.982 54.397 0.410  0.724  1.845  H03 A1L2G 9  
A1L2G H06 H4  H 0 1 N N N N N N 22.550 -45.400 57.299 -1.319 -1.674 1.027  H06 A1L2G 10 
A1L2G H04 H5  H 0 1 N N N N N N 23.325 -46.689 56.317 -0.394 -2.111 -0.430 H04 A1L2G 11 
A1L2G H05 H6  H 0 1 N N N N N N 24.339 -45.558 57.275 0.461  -1.647 1.061  H05 A1L2G 12 
A1L2G H09 H7  H 0 1 N N N N N N 25.638 -44.723 54.984 -1.681 1.301  -1.181 H09 A1L2G 13 
A1L2G H07 H8  H 0 1 N N N N N N 24.670 -45.957 54.109 -1.645 -0.389 -1.739 H07 A1L2G 14 
A1L2G H08 H9  H 0 1 N N N N N N 24.595 -44.234 53.606 -2.569 0.047  -0.282 H08 A1L2G 15 
A1L2G H1A H10 H 0 1 N N N N N N 23.365 -41.592 57.104 2.040  -0.880 0.333  H1A A1L2G 16 
A1L2G H1B H11 H 0 1 N N N N N N 22.263 -42.767 57.372 2.791  0.269  -0.605 H1B A1L2G 17 
# 
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 
A1L2G C04 C02 SING N N 1  
A1L2G C01 C02 SING N N 2  
A1L2G C02 O05 SING N N 3  
A1L2G C02 C03 SING N N 4  
A1L2G O05 N06 SING N N 5  
A1L2G C01 H01 SING N N 6  
A1L2G C01 H02 SING N N 7  
A1L2G C01 H03 SING N N 8  
A1L2G C03 H06 SING N N 9  
A1L2G C03 H04 SING N N 10 
A1L2G C03 H05 SING N N 11 
A1L2G C04 H09 SING N N 12 
A1L2G C04 H07 SING N N 13 
A1L2G C04 H08 SING N N 14 
A1L2G N06 H1A SING N N 15 
A1L2G N06 H1B SING 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 
A1L2G InChI            InChI                1.06  "InChI=1S/C4H11NO/c1-4(2,3)6-5/h5H2,1-3H3" 
A1L2G InChIKey         InChI                1.06  KKVUFSINQFSJNK-UHFFFAOYSA-N                
A1L2G SMILES_CANONICAL CACTVS               3.385 "CC(C)(C)ON"                               
A1L2G SMILES           CACTVS               3.385 "CC(C)(C)ON"                               
A1L2G SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CC(C)(C)ON"                               
A1L2G SMILES           "OpenEye OEToolkits" 2.0.7 "CC(C)(C)ON"                               
# 
_pdbx_chem_comp_identifier.comp_id           A1L2G 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   2.0.7 
_pdbx_chem_comp_identifier.identifier        "~{O}-~{tert}-butylhydroxylamine" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1L2G "Create component" 2024-06-17 PDBJ 
A1L2G "Initial release"  2025-06-18 RCSB 
# 
