data_DDL # _chem_comp.id DDL _chem_comp.name "2,6-dideoxy-beta-D-galactopyranose" _chem_comp.type "D-saccharide, beta linking" _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-GALACTOSE; 2,6-DIDEOXY-BETA-D-TALOSE; 2,6-dideoxy-beta-D-lyxo-hexopyranose; 2-deoxy-beta-D-fucopyranose; 2,6-dideoxy-D-galactose; 2,6-dideoxy-galactose ; _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 1999-07-08 _chem_comp.pdbx_modified_date 2020-07-17 _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_ _pdbx_chem_comp_synonyms.ordinal _pdbx_chem_comp_synonyms.comp_id _pdbx_chem_comp_synonyms.name _pdbx_chem_comp_synonyms.provenance _pdbx_chem_comp_synonyms.type 1 DDL "2,6-DIDEOXY-BETA-D-GALACTOSE" PDB ? 2 DDL "2,6-DIDEOXY-BETA-D-TALOSE" PDB ? 3 DDL "2,6-dideoxy-beta-D-lyxo-hexopyranose" PDB ? 4 DDL 2-deoxy-beta-D-fucopyranose PDB ? 5 DDL "2,6-dideoxy-D-galactose" PDB ? 6 DDL "2,6-dideoxy-galactose" PDB ? # # 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 H2 H21 H 0 1 N N N 3.939 6.438 19.700 -2.499 -0.246 0.448 H2 DDL 12 DDL H22 H22 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 H61 H 0 1 N N N 6.508 3.520 22.943 3.292 -0.470 0.918 H61 DDL 17 DDL H62 H62 H 0 1 N N N 7.894 4.391 22.237 3.185 -0.810 -0.825 H62 DDL 18 DDL H63 H63 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 Y N 2.266 3.702 20.931 -0.531 0.089 3.362 HO1 DDL 20 DDL HO3 HO3 H 0 1 N Y 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 H2 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 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" DDL InChI InChI 1.03 "InChI=1S/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 1.03 FDWRIIDFYSUTDP-KAZBKCHUSA-N # # 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" DDL "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 b-D-2-deoxy-Fucp # # loop_ _pdbx_chem_comp_feature.comp_id _pdbx_chem_comp_feature.type _pdbx_chem_comp_feature.value _pdbx_chem_comp_feature.source _pdbx_chem_comp_feature.support DDL "CARBOHYDRATE ISOMER" D PDB ? DDL "CARBOHYDRATE RING" pyranose PDB ? DDL "CARBOHYDRATE ANOMER" beta PDB ? DDL "CARBOHYDRATE PRIMARY CARBONYL GROUP" aldose PDB ? # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site DDL "Create component" 1999-07-08 RCSB DDL "Modify descriptor" 2011-06-04 RCSB DDL "Other modification" 2020-07-03 RCSB DDL "Modify name" 2020-07-17 RCSB DDL "Modify synonyms" 2020-07-17 RCSB DDL "Modify linking type" 2020-07-17 RCSB DDL "Modify atom id" 2020-07-17 RCSB DDL "Modify component atom id" 2020-07-17 RCSB DDL "Modify leaving atom flag" 2020-07-17 RCSB ##