data_G2F
# 
_chem_comp.id                                    G2F 
_chem_comp.name                                  2-DEOXY-2FLUORO-GLUCOSE 
_chem_comp.type                                  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                     G2F 
_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        1EXP 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
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 
G2F C1  C1  C 0 1 N N S 21.498 68.515 37.192 1.550  -0.227 -0.465 C1  G2F 1  
G2F C2  C2  C 0 1 N N R 20.776 69.651 37.894 0.512  -0.530 -1.547 C2  G2F 2  
G2F C3  C3  C 0 1 N N S 20.006 68.902 38.975 -0.795 0.191  -1.200 C3  G2F 3  
G2F C4  C4  C 0 1 N N S 19.009 67.892 38.354 -1.205 -0.196 0.224  C4  G2F 4  
G2F C5  C5  C 0 1 N N R 19.764 66.940 37.429 -0.036 0.083  1.172  C5  G2F 5  
G2F C6  C6  C 0 1 N N N 18.856 66.024 36.616 -0.448 -0.267 2.604  C6  G2F 6  
G2F O1  O1  O 0 1 N Y N 22.717 67.779 37.324 1.757  1.184  -0.389 O1  G2F 7  
G2F O3  O3  O 0 1 N N N 19.329 69.802 39.822 -1.817 -0.200 -2.119 O3  G2F 8  
G2F O4  O4  O 0 1 N N N 18.397 67.155 39.407 -2.339 0.575  0.622  O4  G2F 9  
G2F O5  O5  O 0 1 N N N 20.557 67.707 36.490 1.089  -0.707 0.796  O5  G2F 10 
G2F O6  O6  O 0 1 N N N 17.666 66.694 36.216 0.641  -0.003 3.490  O6  G2F 11 
G2F F2  F2  F 0 1 N N N 21.161 70.978 37.958 0.981  -0.082 -2.786 F2  G2F 12 
G2F H1  H1  H 0 1 N N N 22.213 69.355 37.035 2.490  -0.717 -0.717 H1  G2F 13 
G2F H2  H2  H 0 1 N N N 20.193 70.308 37.207 0.334  -1.605 -1.591 H2  G2F 14 
G2F H3  H3  H 0 1 N N N 20.745 68.330 39.583 -0.644 1.269  -1.258 H3  G2F 15 
G2F H4  H4  H 0 1 N N N 18.229 68.430 37.765 -1.456 -1.256 0.256  H4  G2F 16 
G2F H5  H5  H 0 1 N N N 20.391 66.301 38.094 0.227  1.139  1.120  H5  G2F 17 
G2F H61 1H6 H 0 1 N N N 19.393 65.588 35.741 -0.712 -1.323 2.657  H61 G2F 18 
G2F H62 2H6 H 0 1 N N N 18.628 65.081 37.166 -1.307 0.337  2.893  H62 G2F 19 
G2F HO1 HO1 H 0 1 N N N 23.168 67.068 36.884 2.420  1.333  0.298  HO1 G2F 20 
G2F HO3 HO3 H 0 1 N N N 18.849 69.335 40.495 -1.510 0.051  -3.002 HO3 G2F 21 
G2F HO4 HO4 H 0 1 N N N 17.785 66.535 39.026 -3.047 0.375  -0.003 HO4 G2F 22 
G2F HO6 HO6 H 0 1 N N N 17.100 66.123 35.709 0.340  -0.237 4.379  HO6 G2F 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 
G2F C1 C2  SING N N 1  
G2F C1 O1  SING N N 2  
G2F C1 O5  SING N N 3  
G2F C1 H1  SING N N 4  
G2F C2 C3  SING N N 5  
G2F C2 F2  SING N N 6  
G2F C2 H2  SING N N 7  
G2F C3 C4  SING N N 8  
G2F C3 O3  SING N N 9  
G2F C3 H3  SING N N 10 
G2F C4 C5  SING N N 11 
G2F C4 O4  SING N N 12 
G2F C4 H4  SING N N 13 
G2F C5 C6  SING N N 14 
G2F C5 O5  SING N N 15 
G2F C5 H5  SING N N 16 
G2F C6 O6  SING N N 17 
G2F C6 H61 SING N N 18 
G2F C6 H62 SING N N 19 
G2F O1 HO1 SING N N 20 
G2F O3 HO3 SING N N 21 
G2F O4 HO4 SING N N 22 
G2F 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 
G2F SMILES           ACDLabs              10.04 FC1C(O)C(O)C(OC1O)CO                                                                
G2F InChI            InChI                1.02b InChI=1/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4-,5-,6+/m1/s1 
G2F InChIKey         InChI                1.02b ZCXUVYAZINUVJD-UKFBFLRUBL                                                           
G2F SMILES_CANONICAL CACTVS               3.341 OC[C@H]1O[C@H](O)[C@H](F)[C@@H](O)[C@@H]1O                                          
G2F SMILES           CACTVS               3.341 OC[CH]1O[CH](O)[CH](F)[CH](O)[CH]1O                                                 
G2F SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O                                      
G2F SMILES           "OpenEye OEToolkits" 1.5.0 C(C1C(C(C(C(O1)O)F)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 
G2F "SYSTEMATIC NAME" ACDLabs              10.04 2-deoxy-2-fluoro-alpha-D-glucopyranose                       
G2F "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 (2S,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,4,5-triol 
# 
