data_A1EKO
# 
_chem_comp.id                                    A1EKO 
_chem_comp.name                                  alpha-L-Glucopyranose 
_chem_comp.type                                  "L-saccharide, alpha linking" 
_chem_comp.pdbx_type                             ATOMS 
_chem_comp.formula                               "C6 H12 O6" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         alpha-L-glucose 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2025-01-23 
_chem_comp.pdbx_modified_date                    2025-05-23 
_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                        180.156 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1EKO 
_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        9LFN 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBC 
_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 
A1EKO C1  C1  C 0 1 N N R N N N 163.520 141.098 223.972 -0.567 -1.572 -0.245 C1  A1EKO 1  
A1EKO C2  C2  C 0 1 N N S N N N 164.429 142.023 224.818 -1.578 -0.465 -0.554 C2  A1EKO 2  
A1EKO C3  C3  C 0 1 N N R N N N 165.562 142.603 224.021 -1.179 0.805  0.203  C3  A1EKO 3  
A1EKO C4  C4  C 0 1 N N R N N N 165.333 142.500 222.565 0.249  1.195  -0.192 C4  A1EKO 4  
A1EKO C5  C5  C 0 1 N N S N N N 165.184 141.045 222.133 1.189  0.024  0.103  C5  A1EKO 5  
A1EKO C6  C6  C 0 1 N N N N N N 164.610 141.013 220.764 2.607  0.383  -0.345 C6  A1EKO 6  
A1EKO O3  O1  O 0 1 N N N N N N 165.708 143.996 224.374 -2.075 1.865  -0.137 O3  A1EKO 7  
A1EKO O4  O2  O 0 1 N N N N N N 166.471 143.092 221.873 0.657  2.339  0.561  O4  A1EKO 8  
A1EKO O5  O3  O 0 1 N N N N N N 164.283 140.247 223.049 0.744  -1.133 -0.608 O5  A1EKO 9  
A1EKO O6  O4  O 0 1 N N N N N N 165.440 141.779 219.917 3.506  -0.661 0.035  O6  A1EKO 10 
A1EKO O2  O5  O 0 1 N N N N N N 165.042 141.338 225.907 -2.881 -0.879 -0.139 O2  A1EKO 11 
A1EKO O1  O6  O 0 1 N Y N N N N 162.572 140.320 224.729 -0.600 -1.872 1.151  O1  A1EKO 12 
A1EKO H1  H1  H 0 1 N N N N N N 162.928 141.776 223.340 -0.822 -2.466 -0.815 H1  A1EKO 13 
A1EKO H2  H2  H 0 1 N N N N N N 163.811 142.849 225.201 -1.583 -0.265 -1.626 H2  A1EKO 14 
A1EKO H3  H3  H 0 1 N N N N N N 166.485 142.062 224.277 -1.224 0.620  1.276  H3  A1EKO 15 
A1EKO H4  H4  H 0 1 N N N N N N 164.414 143.044 222.300 0.281  1.429  -1.256 H4  A1EKO 16 
A1EKO H5  H5  H 0 1 N N N N N N 166.180 140.578 222.119 1.187  -0.184 1.173  H5  A1EKO 17 
A1EKO H61 H6  H 0 1 N N N N N N 163.596 141.439 220.776 2.627  0.503  -1.428 H61 A1EKO 18 
A1EKO H62 H7  H 0 1 N N N N N N 164.567 139.975 220.403 2.913  1.316  0.130  H62 A1EKO 19 
A1EKO HO3 H8  H 0 1 N Y N N N N 165.856 144.072 225.309 -3.000 1.683  0.080  HO3 A1EKO 20 
A1EKO HO4 H9  H 0 1 N Y N N N N 166.567 143.999 222.139 0.101  3.118  0.426  HO4 A1EKO 21 
A1EKO HO6 H10 H 0 1 N Y N N N N 165.088 141.770 219.035 4.425  -0.500 -0.217 HO6 A1EKO 22 
A1EKO HO2 H11 H 0 1 N Y N N N N 165.588 141.943 226.395 -3.196 -1.682 -0.576 HO2 A1EKO 23 
A1EKO HO1 H12 H 0 1 N Y N N N N 162.092 140.890 225.317 0.017  -2.566 1.419  HO1 A1EKO 24 
# 
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 
A1EKO O6 C6  SING N N 1  
A1EKO C6 C5  SING N N 2  
A1EKO O4 C4  SING N N 3  
A1EKO C5 C4  SING N N 4  
A1EKO C5 O5  SING N N 5  
A1EKO C4 C3  SING N N 6  
A1EKO O5 C1  SING N N 7  
A1EKO C1 C2  SING N N 8  
A1EKO C3 O3  SING N N 9  
A1EKO C3 C2  SING N N 10 
A1EKO C2 O2  SING N N 11 
A1EKO C1 O1  SING N N 12 
A1EKO C1 H1  SING N N 13 
A1EKO C2 H2  SING N N 14 
A1EKO C3 H3  SING N N 15 
A1EKO C4 H4  SING N N 16 
A1EKO C5 H5  SING N N 17 
A1EKO C6 H61 SING N N 18 
A1EKO C6 H62 SING N N 19 
A1EKO O3 HO3 SING N N 20 
A1EKO O4 HO4 SING N N 21 
A1EKO O6 HO6 SING N N 22 
A1EKO O2 HO2 SING N N 23 
A1EKO O1 HO1 SING N N 24 
# 
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 
A1EKO InChI            InChI                1.06  "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m0/s1" 
A1EKO InChIKey         InChI                1.06  WQZGKKKJIJFFOK-MDMQIMBFSA-N                                                       
A1EKO SMILES_CANONICAL CACTVS               3.385 "OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O"                                     
A1EKO SMILES           CACTVS               3.385 "OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O"                                             
A1EKO SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O"                                 
A1EKO SMILES           "OpenEye OEToolkits" 2.0.7 "C(C1C(C(C(C(O1)O)O)O)O)O"                                                        
# 
_pdbx_chem_comp_identifier.comp_id           A1EKO 
_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~{R},3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)oxane-2,3,4,5-tetrol" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1EKO "Create component" 2025-01-23 PDBC 
A1EKO "Initial release"  2025-05-28 RCSB 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      A1EKO 
_pdbx_chem_comp_synonyms.name         alpha-L-glucose 
_pdbx_chem_comp_synonyms.provenance   PUBCHEM 
_pdbx_chem_comp_synonyms.type         ? 
# 
