data_DLF
# 
_chem_comp.id                                    DLF 
_chem_comp.name                                  2-DEOXY-ALPHA-L-FUCOPYRANOSIDE 
_chem_comp.type                                  L-SACCHARIDE 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C6 H12 O4" 
_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                        148.157 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     DLF 
_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                  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 
DLF C1  C1  C 0 1 N N R -0.382 6.465 -5.276 -1.469 -0.585 0.610  C1  DLF 1  
DLF C2  C2  C 0 1 N N N 0.004  5.168 -6.000 -1.178 -0.655 -0.890 C2  DLF 2  
DLF C3  C3  C 0 1 N N S -1.287 4.371 -6.326 -0.231 0.488  -1.269 C3  DLF 3  
DLF C4  C4  C 0 1 N N S -2.353 5.267 -7.095 1.002  0.423  -0.361 C4  DLF 4  
DLF C5  C5  C 0 1 N N S -2.570 6.598 -6.325 0.546  0.413  1.099  C5  DLF 5  
DLF C6  C6  C 0 1 N N N -3.403 7.656 -7.067 1.771  0.384  2.014  C6  DLF 6  
DLF O1  O1  O 0 1 N Y N -0.989 6.124 -4.058 -2.056 0.680  0.920  O1  DLF 7  
DLF O3  O3  O 0 1 N N N -0.841 3.265 -7.134 0.166  0.349  -2.635 O3  DLF 8  
DLF O4  O4  O 0 1 N N N -1.927 5.522 -8.448 1.741  -0.766 -0.644 O4  DLF 9  
DLF O5  O5  O 0 1 N N N -1.303 7.188 -6.071 -0.256 -0.739 1.345  O5  DLF 10 
DLF H1  H1  H 0 1 N N N 0.456  7.123 -5.046 -2.161 -1.382 0.882  H1  DLF 11 
DLF H21 1H2 H 0 1 N N N 0.620  5.359 -6.879 -0.709 -1.610 -1.127 H21 DLF 12 
DLF H22 2H2 H 0 1 N N N 0.682  4.561 -5.400 -2.110 -0.557 -1.447 H22 DLF 13 
DLF H3  H3  H 0 1 N N N -1.721 3.991 -5.400 -0.738 1.443  -1.131 H3  DLF 14 
DLF H4  H4  H 0 1 N N N -3.340 4.805 -7.126 1.632  1.295  -0.539 H4  DLF 15 
DLF H5  H5  H 0 1 N N N -3.104 6.364 -5.404 -0.037 1.311  1.302  H5  DLF 16 
DLF H61 1H6 H 0 1 N N N -3.385 8.614 -6.545 1.448  0.379  3.055  H61 DLF 17 
DLF H62 2H6 H 0 1 N N N -3.024 7.850 -8.070 2.355  -0.513 1.811  H62 DLF 18 
DLF H63 3H6 H 0 1 N N N -4.450 7.370 -7.174 2.385  1.266  1.828  H63 DLF 19 
DLF HO1 HO1 H 0 1 N N N -1.227 6.926 -3.609 -2.228 0.682  1.872  HO1 DLF 20 
DLF HO3 HO3 H 0 1 N N N -1.631 2.777 -7.333 -0.641 0.383  -3.166 HO3 DLF 21 
DLF HO4 HO4 H 0 1 N N N -1.634 4.714 -8.848 2.002  -0.719 -1.574 HO4 DLF 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 
DLF C1 C2  SING N N 1  
DLF C1 O1  SING N N 2  
DLF C1 O5  SING N N 3  
DLF C1 H1  SING N N 4  
DLF C2 C3  SING N N 5  
DLF C2 H21 SING N N 6  
DLF C2 H22 SING N N 7  
DLF C3 C4  SING N N 8  
DLF C3 O3  SING N N 9  
DLF C3 H3  SING N N 10 
DLF C4 C5  SING N N 11 
DLF C4 O4  SING N N 12 
DLF C4 H4  SING N N 13 
DLF C5 C6  SING N N 14 
DLF C5 O5  SING N N 15 
DLF C5 H5  SING N N 16 
DLF C6 H61 SING N N 17 
DLF C6 H62 SING N N 18 
DLF C6 H63 SING N N 19 
DLF O1 HO1 SING N N 20 
DLF O3 HO3 SING N N 21 
DLF O4 HO4 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 
DLF SMILES           ACDLabs              10.04 OC1C(OC(O)CC1O)C                                                         
DLF InChI            InChI                1.02b InChI=1/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4-,5+,6+/m0/s1 
DLF InChIKey         InChI                1.02b FDWRIIDFYSUTDP-UNTFVMJOBR                                                
DLF SMILES_CANONICAL CACTVS               3.341 C[C@@H]1O[C@@H](O)C[C@H](O)[C@@H]1O                                      
DLF SMILES           CACTVS               3.341 C[CH]1O[CH](O)C[CH](O)[CH]1O                                             
DLF SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C[C@H]1[C@H]([C@H](C[C@@H](O1)O)O)O                                      
DLF SMILES           "OpenEye OEToolkits" 1.5.0 CC1C(C(CC(O1)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 
DLF "SYSTEMATIC NAME" ACDLabs              10.04 2,6-dideoxy-alpha-L-lyxo-hexopyranose   
DLF "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 (2R,4S,5S,6S)-6-methyloxane-2,4,5-triol 
# 
