data_CDR
# 
_chem_comp.id                                    CDR 
_chem_comp.name                                  2,3-DIDEOXYFUCOSE 
_chem_comp.type                                  SACCHARIDE 
_chem_comp.pdbx_type                             ATOMS 
_chem_comp.formula                               "C6 H12 O3" 
_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                        132.158 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     CDR 
_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        1D83 
_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 
CDR OGL OGL O 0 1 N N N 8.287  -2.726 3.603 0.305  0.012  2.877  OGL CDR 1  
CDR C1  C1  C 0 1 N N R 7.774  -2.444 4.912 0.012  -0.318 1.518  C1  CDR 2  
CDR C2  C2  C 0 1 N N N 7.067  -3.739 5.359 -1.347 0.268  1.134  C2  CDR 3  
CDR C3  C3  C 0 1 N N N 6.508  -3.600 6.791 -1.668 -0.119 -0.313 C3  CDR 4  
CDR C4  C4  C 0 1 N N S 7.759  -3.302 7.660 -0.497 0.309  -1.205 C4  CDR 5  
CDR O4  O4  O 0 1 N N N 7.300  -3.187 9.003 -0.707 -0.172 -2.534 O4  CDR 6  
CDR C5  C5  C 0 1 N N R 8.322  -1.915 7.188 0.798  -0.282 -0.645 C5  CDR 7  
CDR O1  O1  O 0 1 N N N 8.800  -2.089 5.850 1.026  0.217  0.670  O1  CDR 8  
CDR C6  C6  C 0 1 N N N 9.455  -1.549 8.177 1.968  0.110  -1.548 C6  CDR 9  
CDR HOG HOG H 0 1 N N N 8.722  -1.928 3.327 1.165  -0.378 3.081  HOG CDR 10 
CDR H1  H1  H 0 1 N N N 7.089  -1.564 4.877 -0.016 -1.402 1.407  H1  CDR 11 
CDR H21 1H2 H 0 1 N N N 6.274  -4.044 4.636 -2.116 -0.128 1.797  H21 CDR 12 
CDR H22 2H2 H 0 1 N N N 7.735  -4.626 5.263 -1.313 1.354  1.222  H22 CDR 13 
CDR H31 1H3 H 0 1 N N N 5.691  -2.847 6.892 -1.805 -1.198 -0.381 H31 CDR 14 
CDR H32 2H3 H 0 1 N N N 5.910  -4.475 7.135 -2.577 0.388  -0.635 H32 CDR 15 
CDR H4  H4  H 0 1 N N N 8.543  -4.089 7.575 -0.427 1.396  -1.218 H4  CDR 16 
CDR HO4 HO4 H 0 1 N N N 8.065  -3.004 9.534 -1.535 0.217  -2.845 HO4 CDR 17 
CDR H5  H5  H 0 1 N N N 7.567  -1.094 7.182 0.715  -1.368 -0.610 H5  CDR 18 
CDR H61 1H6 H 0 1 N N N 9.854  -0.563 7.841 2.891  -0.312 -1.152 H61 CDR 19 
CDR H62 2H6 H 0 1 N N N 9.131  -1.556 9.244 1.796  -0.273 -2.554 H62 CDR 20 
CDR H63 3H6 H 0 1 N N N 10.237 -2.338 8.266 2.052  1.196  -1.583 H63 CDR 21 
# 
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 
CDR OGL C1  SING N N 1  
CDR OGL HOG SING N N 2  
CDR C1  C2  SING N N 3  
CDR C1  O1  SING N N 4  
CDR C1  H1  SING N N 5  
CDR C2  C3  SING N N 6  
CDR C2  H21 SING N N 7  
CDR C2  H22 SING N N 8  
CDR C3  C4  SING N N 9  
CDR C3  H31 SING N N 10 
CDR C3  H32 SING N N 11 
CDR C4  O4  SING N N 12 
CDR C4  C5  SING N N 13 
CDR C4  H4  SING N N 14 
CDR O4  HO4 SING N N 15 
CDR C5  O1  SING N N 16 
CDR C5  C6  SING N N 17 
CDR C5  H5  SING N N 18 
CDR C6  H61 SING N N 19 
CDR C6  H62 SING N N 20 
CDR C6  H63 SING N N 21 
# 
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 
CDR SMILES           ACDLabs              10.04 OC1C(OC(O)CC1)C                                                      
CDR InChI            InChI                1.02b InChI=1/C6H12O3/c1-4-5(7)2-3-6(8)9-4/h4-8H,2-3H2,1H3/t4-,5+,6-/m1/s1 
CDR InChIKey         InChI                1.02b ZCYMCBOUZXAAJG-NGJCXOISBM                                            
CDR SMILES_CANONICAL CACTVS               3.341 C[C@H]1O[C@@H](O)CC[C@@H]1O                                          
CDR SMILES           CACTVS               3.341 C[CH]1O[CH](O)CC[CH]1O                                               
CDR SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C[C@@H]1[C@H](CC[C@@H](O1)O)O                                        
CDR SMILES           "OpenEye OEToolkits" 1.5.0 CC1C(CCC(O1)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 
CDR "SYSTEMATIC NAME" ACDLabs              10.04 (2R,5S,6R)-6-methyltetrahydro-2H-pyran-2,5-diol 
CDR "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 (2R,5S,6R)-6-methyloxane-2,5-diol               
# 
