data_A1ISW
# 
_chem_comp.id                                    A1ISW 
_chem_comp.name                                  2H-imidazol-2-ol 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C3 H4 N2 O" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-10-28 
_chem_comp.pdbx_modified_date                    2025-10-31 
_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                        84.077 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1ISW 
_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        9H7W 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBE 
_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 
A1ISW C1 C1 C 0 1 N N N N N N -21.848 8.712  -16.574 1.297  -0.766 0.186  C1 A1ISW 1  
A1ISW C2 C2 C 0 1 N N N N N N -23.446 7.603  -17.564 -0.676 0.031  -0.458 C2 A1ISW 2  
A1ISW C3 C3 C 0 1 N N N N N N -22.063 9.277  -17.788 1.340  0.704  0.193  C3 A1ISW 3  
A1ISW N1 N1 N 0 1 N N N N N N -22.632 7.718  -16.354 0.129  -1.167 -0.191 N1 A1ISW 4  
A1ISW N2 N2 N 0 1 N N N N N N -22.999 8.685  -18.441 0.199  1.177  -0.180 N2 A1ISW 5  
A1ISW O1 O1 O 0 1 N N N N N N -24.823 7.716  -17.263 -1.816 0.061  0.404  O1 A1ISW 6  
A1ISW H1 H1 H 0 1 N N N N N N -21.103 9.058  -15.873 2.120  -1.413 0.452  H1 A1ISW 7  
A1ISW H2 H2 H 0 1 N N N N N N -23.244 6.636  -18.048 -0.994 0.046  -1.501 H2 A1ISW 8  
A1ISW H3 H3 H 0 1 N N N N N N -21.511 10.126 -18.163 2.199  1.299  0.469  H3 A1ISW 9  
A1ISW H4 H4 H 0 1 N N N N N N -25.330 7.638  -18.063 -2.431 -0.672 0.268  H4 A1ISW 10 
# 
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 
A1ISW C1 N1 DOUB N N 1  
A1ISW C1 C3 SING N N 2  
A1ISW N1 C2 SING N N 3  
A1ISW C2 N2 SING N N 4  
A1ISW C2 O1 SING N N 5  
A1ISW N2 C3 DOUB N N 6  
A1ISW C1 H1 SING N N 7  
A1ISW C2 H2 SING N N 8  
A1ISW C3 H3 SING N N 9  
A1ISW O1 H4 SING N N 10 
# 
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 
A1ISW InChI            InChI                1.06  InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-3,6H 
A1ISW InChIKey         InChI                1.06  LJNHIGKEMMWLEI-UHFFFAOYSA-N             
A1ISW SMILES_CANONICAL CACTVS               3.385 OC1N=CC=N1                              
A1ISW SMILES           CACTVS               3.385 OC1N=CC=N1                              
A1ISW SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C1=NC(N=C1)O"                          
A1ISW SMILES           "OpenEye OEToolkits" 2.0.7 "C1=NC(N=C1)O"                          
# 
_pdbx_chem_comp_identifier.comp_id           A1ISW 
_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        "2~{H}-imidazol-2-ol" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1ISW "Create component" 2024-10-28 PDBE 
A1ISW "Initial release"  2025-11-05 RCSB 
# 
