data_A1EFW
# 
_chem_comp.id                                    A1EFW 
_chem_comp.name                                  "(2~{S},3~{R},4~{R},5~{S},6~{R})-5-fluoranyl-6-(hydroxymethyl)oxane-2,3,4-triol" 
_chem_comp.type                                  "D-saccharide, alpha linking" 
_chem_comp.pdbx_type                             ATOMS 
_chem_comp.formula                               "C6 H11 F O5" 
_chem_comp.mon_nstd_parent_comp_id               GLC 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-11-19 
_chem_comp.pdbx_modified_date                    2025-10-06 
_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                        182.147 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1EFW 
_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        9KKQ 
_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 
A1EFW C1  C1  C 0 1 N N S N N N 129.032 131.163 140.661 -0.596 1.585  -0.241 C1  A1EFW 1  
A1EFW C2  C2  C 0 1 N N R N N N 127.970 130.252 140.083 -1.594 0.468  -0.555 C2  A1EFW 2  
A1EFW C3  C3  C 0 1 N N R N N N 126.947 129.861 141.144 -1.179 -0.802 0.194  C3  A1EFW 3  
A1EFW C4  C4  C 0 1 N N S N N N 127.678 129.248 142.320 0.253  -1.172 -0.205 C4  A1EFW 4  
A1EFW C5  C5  C 0 1 N N R N N N 128.736 130.202 142.837 1.180  0.009  0.096  C5  A1EFW 5  
A1EFW C6  C6  C 0 1 N N N N N N 129.554 129.627 143.968 2.602  -0.331 -0.356 C6  A1EFW 6  
A1EFW O1  O1  O 0 1 N N N N N N 128.456 132.359 141.065 -0.631 1.876  1.158  O1  A1EFW 7  
A1EFW O2  O2  O 0 1 N N N N N N 127.329 130.878 138.976 -2.902 0.863  -0.136 O2  A1EFW 8  
A1EFW O3  O3  O 0 1 N N N N N N 126.024 128.912 140.617 -2.062 -1.871 -0.150 O3  A1EFW 9  
A1EFW O5  O4  O 0 1 N N N N N N 129.655 130.537 141.783 0.719  1.164  -0.608 O5  A1EFW 10 
A1EFW O6  O5  O 0 1 N N N N N N 130.522 130.566 144.426 3.488  0.722  0.029  O6  A1EFW 11 
A1EFW F4  F1  F 0 1 N N N N N N 126.749 128.987 143.342 0.668  -2.290 0.527  F4  A1EFW 12 
A1EFW H1  H1  H 0 1 N N N N N N 129.786 131.352 139.882 -0.862 2.479  -0.805 H1  A1EFW 13 
A1EFW H2  H2  H 0 1 N N N N N N 128.465 129.332 139.739 -1.597 0.273  -1.627 H2  A1EFW 14 
A1EFW H3  H3  H 0 1 N N N N N N 126.417 130.764 141.480 -1.223 -0.623 1.269  H3  A1EFW 15 
A1EFW H4  H4  H 0 1 N N N N N N 128.164 128.317 141.994 0.287  -1.400 -1.270 H4  A1EFW 16 
A1EFW H5  H5  H 0 1 N N N N N N 128.238 131.115 143.194 1.177  0.210  1.167  H5  A1EFW 17 
A1EFW H6  H6  H 0 1 N N N N N N 128.884 129.366 144.800 2.919  -1.262 0.113  H6  A1EFW 18 
A1EFW H7  H7  H 0 1 N N N N N N 130.070 128.722 143.615 2.621  -0.444 -1.440 H7  A1EFW 19 
A1EFW H8  H8  H 0 1 N N N N N N 129.126 132.927 141.427 -0.021 2.576  1.429  H8  A1EFW 20 
A1EFW H9  H9  H 0 1 N N N N N N 126.666 130.296 138.623 -3.227 1.665  -0.567 H9  A1EFW 21 
A1EFW H10 H10 H 0 1 N N N N N N 125.393 128.677 141.287 -2.989 -1.702 0.069  H10 A1EFW 22 
A1EFW H11 H11 H 0 1 N N N N N N 131.024 130.183 145.136 4.409  0.574  -0.226 H11 A1EFW 23 
# 
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 
A1EFW O2 C2  SING N N 1  
A1EFW C2 C1  SING N N 2  
A1EFW C2 C3  SING N N 3  
A1EFW O3 C3  SING N N 4  
A1EFW C1 O1  SING N N 5  
A1EFW C1 O5  SING N N 6  
A1EFW C3 C4  SING N N 7  
A1EFW O5 C5  SING N N 8  
A1EFW C4 C5  SING N N 9  
A1EFW C4 F4  SING N N 10 
A1EFW C5 C6  SING N N 11 
A1EFW C6 O6  SING N N 12 
A1EFW C1 H1  SING N N 13 
A1EFW C2 H2  SING N N 14 
A1EFW C3 H3  SING N N 15 
A1EFW C4 H4  SING N N 16 
A1EFW C5 H5  SING N N 17 
A1EFW C6 H6  SING N N 18 
A1EFW C6 H7  SING N N 19 
A1EFW O1 H8  SING N N 20 
A1EFW O2 H9  SING N N 21 
A1EFW O3 H10 SING N N 22 
A1EFW O6 H11 SING N N 23 
# 
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 
A1EFW InChI            InChI                1.06  "InChI=1S/C6H11FO5/c7-3-2(1-8)12-6(11)5(10)4(3)9/h2-6,8-11H,1H2/t2-,3-,4+,5-,6+/m1/s1" 
A1EFW InChIKey         InChI                1.06  FIHYONSINSKFAH-DVKNGEFBSA-N                                                            
A1EFW SMILES_CANONICAL CACTVS               3.385 "OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1F"                                           
A1EFW SMILES           CACTVS               3.385 "OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1F"                                                  
A1EFW SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)F)O"                                       
A1EFW SMILES           "OpenEye OEToolkits" 2.0.7 "C(C1C(C(C(C(O1)O)O)O)F)O"                                                             
# 
_pdbx_chem_comp_identifier.comp_id           A1EFW 
_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~{S},3~{R},4~{R},5~{S},6~{R})-5-fluoranyl-6-(hydroxymethyl)oxane-2,3,4-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 
A1EFW "Create component" 2024-11-19 PDBC 
A1EFW "Initial release"  2025-09-03 RCSB 
A1EFW "Modify synonyms"  2025-10-06 PDBC 
# 
