data_FUF
# 
_chem_comp.id                                    FUF 
_chem_comp.name                                  2-DEOXY-2-FLUORO-BETA-L-FUCOPYRANOSE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C6 H11 F O4" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         2,6-DIDEOXY-2-FLUORO-BETA-L-LYXO-HEXOPYRANOSE 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2003-03-14 
_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                        166.148 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     FUF 
_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        ? 
_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 
FUF C1   C1   C 0 1 N N S -18.391 19.635 57.127 1.282  -0.207 -0.637 C1   FUF 1  
FUF C2   C2   C 0 1 N N S -17.719 19.864 58.497 -0.092 0.183  -1.185 C2   FUF 2  
FUF C3   C3   C 0 1 N N R -18.660 20.717 59.377 -1.176 -0.533 -0.372 C3   FUF 3  
FUF C4   C4   C 0 1 N N S -19.991 19.965 59.556 -0.955 -0.227 1.113  C4   FUF 4  
FUF C5   C5   C 0 1 N N S -20.561 19.673 58.147 0.483  -0.588 1.488  C5   FUF 5  
FUF C6   C6   C 0 1 N N N -21.874 18.880 58.167 0.704  -0.321 2.978  C6   FUF 6  
FUF O1   O1   O 0 1 N Y N -17.562 18.913 56.245 2.299  0.433  -1.409 O1   FUF 7  
FUF F2   F2   F 0 1 N N N -16.466 20.528 58.326 -0.185 -0.194 -2.528 F2   FUF 8  
FUF O3   O3   O 0 1 N N N -18.095 20.935 60.654 -2.465 -0.065 -0.774 O3   FUF 9  
FUF O4   O4   O 0 1 N N N -19.783 18.743 60.257 -1.182 1.162  1.355  O4   FUF 10 
FUF O5   O5   O 0 1 N N N -19.617 18.951 57.358 1.393  0.201  0.724  O5   FUF 11 
FUF H1   H1   H 0 1 N N N -18.577 20.604 56.640 1.404  -1.288 -0.702 H1   FUF 12 
FUF H2   H2   H 0 1 N N N -17.533 18.896 58.985 -0.225 1.262  -1.100 H2   FUF 13 
FUF H3   H3   H 0 1 N N N -18.818 21.688 58.884 -1.108 -1.607 -0.540 H3   FUF 14 
FUF H4   H4   H 0 1 N N N -20.694 20.576 60.141 -1.646 -0.819 1.714  H4   FUF 15 
FUF H5   H5   H 0 1 N N N -20.767 20.661 57.709 0.658  -1.644 1.279  H5   FUF 16 
FUF H6C1 1H6C H 0 0 N N N -21.652 17.803 58.164 1.728  -0.580 3.246  H6C1 FUF 17 
FUF H6C2 2H6C H 0 0 N N N -22.442 19.135 59.074 0.529  0.734  3.187  H6C2 FUF 18 
FUF H6C3 3H6C H 0 0 N N N -22.469 19.134 57.278 0.011  -0.926 3.562  H6C3 FUF 19 
FUF HA   HA   H 0 1 N N N -17.695 17.942 56.387 3.148  0.158  -1.036 HA   FUF 20 
FUF HB   HB   H 0 1 N N N -17.905 20.064 61.084 -2.554 -0.266 -1.716 HB   FUF 21 
FUF HC   HC   H 0 1 N N N -20.658 18.341 60.487 -2.096 1.344  1.100  HC   FUF 22 
# 
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 
FUF C1 C2   SING N N 1  
FUF C1 O1   SING N N 2  
FUF C1 O5   SING N N 3  
FUF C1 H1   SING N N 4  
FUF C2 C3   SING N N 5  
FUF C2 F2   SING N N 6  
FUF C2 H2   SING N N 7  
FUF C3 C4   SING N N 8  
FUF C3 O3   SING N N 9  
FUF C3 H3   SING N N 10 
FUF C4 C5   SING N N 11 
FUF C4 O4   SING N N 12 
FUF C4 H4   SING N N 13 
FUF C5 C6   SING N N 14 
FUF C5 O5   SING N N 15 
FUF C5 H5   SING N N 16 
FUF C6 H6C1 SING N N 17 
FUF C6 H6C2 SING N N 18 
FUF C6 H6C3 SING N N 19 
FUF O1 HA   SING N N 20 
FUF O3 HB   SING N N 21 
FUF O4 HC   SING N N 22 
# 
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 
FUF SMILES           ACDLabs              10.04 FC1C(O)C(O)C(OC1O)C                                                              
FUF InChI            InChI                1.02b InChI=1/C6H11FO4/c1-2-4(8)5(9)3(7)6(10)11-2/h2-6,8-10H,1H3/t2-,3-,4+,5-,6-/m0/s1 
FUF InChIKey         InChI                1.02b IRKXGKIPOMIQOD-QYESYBIKBT                                                        
FUF SMILES_CANONICAL CACTVS               3.341 C[C@@H]1O[C@H](O)[C@@H](F)[C@H](O)[C@@H]1O                                       
FUF SMILES           CACTVS               3.341 C[CH]1O[CH](O)[CH](F)[CH](O)[CH]1O                                               
FUF SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)F)O)O                                       
FUF SMILES           "OpenEye OEToolkits" 1.5.0 CC1C(C(C(C(O1)O)F)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 
FUF "SYSTEMATIC NAME" ACDLabs              10.04 2,6-dideoxy-2-fluoro-beta-L-galactopyranose          
FUF "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 (2S,3S,4R,5S,6S)-3-fluoro-6-methyl-oxane-2,4,5-triol 
# 
