data_A1ID6
# 
_chem_comp.id                                    A1ID6 
_chem_comp.name                                  1-fluoro-D-xylopyranose 
_chem_comp.type                                  D-saccharide 
_chem_comp.pdbx_type                             ATOMS 
_chem_comp.formula                               "C5 H9 F O4" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-06-13 
_chem_comp.pdbx_modified_date                    2025-06-06 
_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                        152.121 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1ID6 
_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        9FK2 
_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 
A1ID6 C1  C1 C 0 1 N N R N N N -19.867 30.715 -4.031 1.454  0.638  0.299  C1  A1ID6 1  
A1ID6 C2  C2 C 0 1 N N R N N N -21.232 30.561 -3.364 0.824  -0.738 0.529  C2  A1ID6 2  
A1ID6 C3  C3 C 0 1 N N S N N N -22.258 31.278 -4.226 -0.519 -0.805 -0.203 C3  A1ID6 3  
A1ID6 C4  C4 C 0 1 N N R N N N -21.860 32.743 -4.335 -1.415 0.335  0.291  C4  A1ID6 4  
A1ID6 C5  C5 C 0 1 N N N N N N -20.492 32.794 -5.010 -0.698 1.669  0.070  C5  A1ID6 5  
A1ID6 O2  O1 O 0 1 N N N N N N -21.605 29.189 -3.279 1.695  -1.753 0.024  O2  A1ID6 6  
A1ID6 O3  O2 O 0 1 N N N N N N -23.557 31.155 -3.648 -1.149 -2.059 0.066  O3  A1ID6 7  
A1ID6 O4  O3 O 0 1 N N N N N N -22.819 33.429 -5.132 -2.645 0.325  -0.436 O4  A1ID6 8  
A1ID6 O5  O4 O 0 1 N N N N N N -19.543 32.098 -4.185 0.557  1.653  0.753  O5  A1ID6 9  
A1ID6 F1  F1 F 0 1 N Y N N N N -19.885 30.128 -5.274 1.706  0.813  -1.066 F1  A1ID6 10 
A1ID6 H1  H1 H 0 1 N N N N N N -19.115 30.231 -3.391 2.391  0.706  0.853  H1  A1ID6 11 
A1ID6 H2  H2 H 0 1 N N N N N N -21.205 31.022 -2.366 0.666  -0.893 1.597  H2  A1ID6 12 
A1ID6 H3  H3 H 0 1 N N N N N N -22.249 30.833 -5.232 -0.355 -0.702 -1.276 H3  A1ID6 13 
A1ID6 H4  H4 H 0 1 N N N N N N -21.792 33.184 -3.330 -1.620 0.202  1.354  H4  A1ID6 14 
A1ID6 H51 H5 H 0 1 N N N N N N -20.548 32.311 -5.997 -0.531 1.820  -0.996 H51 A1ID6 15 
A1ID6 H52 H6 H 0 1 N N N N N N -20.178 33.841 -5.132 -1.313 2.481  0.460  H52 A1ID6 16 
A1ID6 HO2 H7 H 0 1 N N N N N N -20.975 28.722 -2.743 2.567  -1.766 0.440  HO2 A1ID6 17 
A1ID6 HO3 H8 H 0 1 N N N N N N -23.791 30.236 -3.587 -2.006 -2.170 -0.368 HO3 A1ID6 18 
A1ID6 HO4 H9 H 0 1 N N N N N N -23.668 33.394 -4.707 -3.262 1.022  -0.174 HO4 A1ID6 19 
# 
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 
A1ID6 F1 C1  SING N N 1  
A1ID6 O4 C4  SING N N 2  
A1ID6 C5 C4  SING N N 3  
A1ID6 C5 O5  SING N N 4  
A1ID6 C4 C3  SING N N 5  
A1ID6 C3 O3  SING N N 6  
A1ID6 C3 C2  SING N N 7  
A1ID6 O5 C1  SING N N 8  
A1ID6 C1 C2  SING N N 9  
A1ID6 C2 O2  SING N N 10 
A1ID6 C1 H1  SING N N 11 
A1ID6 C2 H2  SING N N 12 
A1ID6 C3 H3  SING N N 13 
A1ID6 C4 H4  SING N N 14 
A1ID6 C5 H51 SING N N 15 
A1ID6 C5 H52 SING N N 16 
A1ID6 O2 HO2 SING N N 17 
A1ID6 O3 HO3 SING N N 18 
A1ID6 O4 HO4 SING N N 19 
# 
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 
A1ID6 InChI            InChI                1.06  "InChI=1S/C5H9FO4/c6-5-4(9)3(8)2(7)1-10-5/h2-5,7-9H,1H2/t2-,3+,4-,5+/m1/s1" 
A1ID6 InChIKey         InChI                1.06  WHVNYMMWPUHYES-LECHCGJUSA-N                                                 
A1ID6 SMILES_CANONICAL CACTVS               3.385 "O[C@@H]1CO[C@H](F)[C@H](O)[C@H]1O"                                         
A1ID6 SMILES           CACTVS               3.385 "O[CH]1CO[CH](F)[CH](O)[CH]1O"                                              
A1ID6 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C1[C@H]([C@@H]([C@H]([C@H](O1)F)O)O)O"                                     
A1ID6 SMILES           "OpenEye OEToolkits" 2.0.7 "C1C(C(C(C(O1)F)O)O)O"                                                      
# 
_pdbx_chem_comp_identifier.comp_id           A1ID6 
_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~{R},4~{S},5~{R})-2-fluoranyloxane-3,4,5-triol" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1ID6 "Create component" 2024-06-13 PDBE 
A1ID6 "Initial release"  2025-06-11 RCSB 
# 
loop_
_pdbx_chem_comp_feature.comp_id 
_pdbx_chem_comp_feature.type 
_pdbx_chem_comp_feature.value 
_pdbx_chem_comp_feature.source 
_pdbx_chem_comp_feature.support 
A1ID6 "CARBOHYDRATE RING"   pyranose PDB ? 
A1ID6 "CARBOHYDRATE ISOMER" D        PDB ? 
# 
