data_GLF
# 
_chem_comp.id                                    GLF 
_chem_comp.name                                  1-FLUORO-ALPHA-1-DEOXY-D-GLUCOSE 
_chem_comp.type                                  D-SACCHARIDE 
_chem_comp.pdbx_type                             ATOMS 
_chem_comp.formula                               "C6 H11 F O5" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-07-08 
_chem_comp.pdbx_modified_date                    2008-10-14 
_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                     GLF 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1CXL 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  EBI 
# 
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.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 
GLF C1  C1  C 0 1 N N R 82.662 65.735 46.327 1.538  -0.243 -0.488 C1  GLF 1  
GLF C2  C2  C 0 1 N N R 81.595 65.237 47.276 0.494  -0.544 -1.566 C2  GLF 2  
GLF C3  C3  C 0 1 N N S 80.947 63.971 46.771 -0.808 0.184  -1.217 C3  GLF 3  
GLF C4  C4  C 0 1 N N S 80.474 64.156 45.343 -1.215 -0.198 0.210  C4  GLF 4  
GLF C5  C5  C 0 1 N N R 81.632 64.586 44.469 -0.042 0.077  1.153  C5  GLF 5  
GLF C6  C6  C 0 1 N N N 81.139 64.896 43.089 -0.450 -0.268 2.587  C6  GLF 6  
GLF F1  F1  F 0 1 N N N 83.919 64.585 46.299 1.747  1.138  -0.417 F1  GLF 7  
GLF O2  O2  O 0 1 N N N 82.176 65.001 48.551 0.972  -0.090 -2.834 O2  GLF 8  
GLF O3  O3  O 0 1 N N N 79.809 63.658 47.577 -1.835 -0.204 -2.132 O3  GLF 9  
GLF O4  O4  O 0 1 N N N 79.950 62.914 44.838 -2.344 0.579  0.610  O4  GLF 10 
GLF O5  O5  O 0 1 N N N 82.195 65.795 44.986 1.078  -0.719 0.774  O5  GLF 11 
GLF O6  O6  O 0 1 N N N 82.203 65.408 42.284 0.642  -0.008 3.469  O6  GLF 12 
GLF H1  H1  H 0 1 N N N 82.973 66.746 46.676 2.475  -0.739 -0.743 H1  GLF 13 
GLF H2  H2  H 0 1 N N N 80.802 66.018 47.350 0.312  -1.617 -1.608 H2  GLF 14 
GLF H3  H3  H 0 1 N N N 81.699 63.149 46.819 -0.652 1.261  -1.277 H3  GLF 15 
GLF H4  H4  H 0 1 N N N 79.678 64.937 45.327 -1.471 -1.257 0.244  H4  GLF 16 
GLF H5  H5  H 0 1 N N N 82.383 63.762 44.450 0.226  1.131  1.098  H5  GLF 17 
GLF H61 1H6 H 0 1 N N N 80.647 64.014 42.615 -0.720 -1.323 2.643  H61 GLF 18 
GLF H62 2H6 H 0 1 N N N 80.262 65.584 43.106 -1.305 0.340  2.878  H62 GLF 19 
GLF HO2 HO2 H 0 1 N N N 81.505 64.688 49.147 1.794  -0.569 -3.010 HO2 GLF 20 
GLF HO3 HO3 H 0 1 N N N 79.401 62.861 47.259 -1.530 0.044  -3.015 HO3 GLF 21 
GLF HO4 HO4 H 0 1 N N N 79.653 63.030 43.942 -3.056 0.381  -0.013 HO4 GLF 22 
GLF HO6 HO6 H 0 1 N N N 81.890 65.604 41.408 0.344  -0.239 4.360  HO6 GLF 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 
GLF C1 C2  SING N N 1  
GLF C1 F1  SING N N 2  
GLF C1 O5  SING N N 3  
GLF C1 H1  SING N N 4  
GLF C2 C3  SING N N 5  
GLF C2 O2  SING N N 6  
GLF C2 H2  SING N N 7  
GLF C3 C4  SING N N 8  
GLF C3 O3  SING N N 9  
GLF C3 H3  SING N N 10 
GLF C4 C5  SING N N 11 
GLF C4 O4  SING N N 12 
GLF C4 H4  SING N N 13 
GLF C5 C6  SING N N 14 
GLF C5 O5  SING N N 15 
GLF C5 H5  SING N N 16 
GLF C6 O6  SING N N 17 
GLF C6 H61 SING N N 18 
GLF C6 H62 SING N N 19 
GLF O2 HO2 SING N N 20 
GLF O3 HO3 SING N N 21 
GLF O4 HO4 SING N N 22 
GLF O6 HO6 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 
GLF SMILES           ACDLabs              10.04 FC1OC(C(O)C(O)C1O)CO                                                                
GLF InChI            InChI                1.02b InChI=1/C6H11FO5/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 
GLF InChIKey         InChI                1.02b ATMYEINZLWEOQU-DVKNGEFBBL                                                           
GLF SMILES_CANONICAL CACTVS               3.341 OC[C@H]1O[C@H](F)[C@H](O)[C@@H](O)[C@@H]1O                                          
GLF SMILES           CACTVS               3.341 OC[CH]1O[CH](F)[CH](O)[CH](O)[CH]1O                                                 
GLF SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)F)O)O)O)O                                      
GLF SMILES           "OpenEye OEToolkits" 1.5.0 C(C1C(C(C(C(O1)F)O)O)O)O                                                            
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
GLF "SYSTEMATIC NAME" ACDLabs              10.04 "alpha-D-glucopyranosyl fluoride"                            
GLF "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 (2R,3R,4S,5S,6R)-2-fluoro-6-(hydroxymethyl)oxane-3,4,5-triol 
# 
