data_DDL
# 
_chem_comp.id                                    DDL 
_chem_comp.name                                  2,6-DIDEOXY-BETA-D-GALACTOSE 
_chem_comp.type                                  D-SACCHARIDE 
_chem_comp.pdbx_type                             ATOMS 
_chem_comp.formula                               "C6 H12 O4" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         2,6-DIDEOXY-BETA-D-TALOSE 
_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                     DDL 
_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        146D 
_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 
DDL C1  C1  C 0 1 N N R 3.846 4.344 20.010 -0.592 -0.266 1.453  C1  DDL 1  
DDL C2  C2  C 0 1 N N N 4.167 5.545 19.103 -1.481 0.094  0.261  C2  DDL 2  
DDL C3  C3  C 0 1 N N R 5.690 5.502 18.749 -0.933 -0.590 -0.995 C3  DDL 3  
DDL C4  C4  C 0 1 N N R 6.479 5.527 20.058 0.546  -0.221 -1.149 C4  DDL 4  
DDL C5  C5  C 0 1 N N R 6.088 4.370 20.959 1.281  -0.560 0.149  C5  DDL 5  
DDL C6  C6  C 0 1 N N N 6.799 4.388 22.335 2.766  -0.227 -0.005 C6  DDL 6  
DDL O1  O1  O 0 1 N Y N 2.465 4.444 20.372 -1.114 0.344  2.635  O1  DDL 7  
DDL O5  O5  O 0 1 N N N 4.674 4.383 21.179 0.735  0.200  1.225  O5  DDL 8  
DDL O3  O3  O 0 1 N N N 6.078 6.631 17.942 -1.663 -0.146 -2.141 O3  DDL 9  
DDL O4  O4  O 0 1 N N N 6.305 6.758 20.732 0.664  1.176  -1.419 O4  DDL 10 
DDL H1  H1  H 0 1 N N N 4.022 3.396 19.483 -0.579 -1.348 1.580  H1  DDL 11 
DDL H21 1H2 H 0 1 N N N 3.939 6.438 19.700 -2.499 -0.246 0.448  H21 DDL 12 
DDL H22 2H2 H 0 1 N N N 3.565 5.432 18.191 -1.478 1.175  0.117  H22 DDL 13 
DDL H3  H3  H 0 1 N N N 5.993 4.590 18.217 -1.033 -1.671 -0.895 H3  DDL 14 
DDL H4  H4  H 0 1 N N N 7.539 5.368 19.812 0.980  -0.789 -1.971 H4  DDL 15 
DDL H5  H5  H 0 1 N N N 6.358 3.467 20.393 1.168  -1.622 0.363  H5  DDL 16 
DDL H61 1H6 H 0 1 N N N 6.508 3.520 22.943 3.292  -0.470 0.918  H61 DDL 17 
DDL H62 2H6 H 0 1 N N N 7.894 4.391 22.237 3.185  -0.810 -0.825 H62 DDL 18 
DDL H63 3H6 H 0 1 N N N 6.512 5.290 22.896 2.881  0.835  -0.219 H63 DDL 19 
DDL HO1 HO1 H 0 1 N N N 2.266 3.702 20.931 -0.531 0.089  3.362  HO1 DDL 20 
DDL HO3 HO3 H 0 1 N N N 7.003 6.604 17.727 -2.588 -0.388 -1.994 HO3 DDL 21 
DDL HO4 HO4 H 0 1 N N N 5.375 6.878 20.939 0.182  1.344  -2.240 HO4 DDL 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 
DDL C1 C2  SING N N 1  
DDL C1 O1  SING N N 2  
DDL C1 O5  SING N N 3  
DDL C1 H1  SING N N 4  
DDL C2 C3  SING N N 5  
DDL C2 H21 SING N N 6  
DDL C2 H22 SING N N 7  
DDL C3 C4  SING N N 8  
DDL C3 O3  SING N N 9  
DDL C3 H3  SING N N 10 
DDL C4 C5  SING N N 11 
DDL C4 O4  SING N N 12 
DDL C4 H4  SING N N 13 
DDL C5 C6  SING N N 14 
DDL C5 O5  SING N N 15 
DDL C5 H5  SING N N 16 
DDL C6 H61 SING N N 17 
DDL C6 H62 SING N N 18 
DDL C6 H63 SING N N 19 
DDL O1 HO1 SING N N 20 
DDL O3 HO3 SING N N 21 
DDL 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 
DDL SMILES           ACDLabs              10.04 OC1C(OC(O)CC1O)C                                                         
DDL 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+/m1/s1 
DDL InChIKey         InChI                1.02b FDWRIIDFYSUTDP-KAZBKCHUBD                                                
DDL SMILES_CANONICAL CACTVS               3.341 C[C@H]1O[C@@H](O)C[C@@H](O)[C@H]1O                                       
DDL SMILES           CACTVS               3.341 C[CH]1O[CH](O)C[CH](O)[CH]1O                                             
DDL SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O)O)O                                   
DDL 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 
DDL "SYSTEMATIC NAME" ACDLabs              10.04 2,6-dideoxy-beta-D-lyxo-hexopyranose    
DDL "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 (2R,4R,5R,6R)-6-methyloxane-2,4,5-triol 
# 
