data_DLF # _chem_comp.id DLF _chem_comp.name 2-deoxy-alpha-L-fucopyranose _chem_comp.type "L-saccharide, alpha linking" _chem_comp.pdbx_type ATOMS _chem_comp.formula "C6 H12 O4" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ;2-DEOXY-ALPHA-L-FUCOPYRANOSIDE; 2,6-dideoxy-alpha-L-lyxo-hexopyranose; 2,6-dideoxy-alpha-L-galactopyranose; 2,6-dideoxy-alpha-L-talopyranose; 2-deoxy-alpha-L-fucose; 2-deoxy-L-fucose; 2-deoxy-fucose ; _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 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_ _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 DLF 2-DEOXY-ALPHA-L-FUCOPYRANOSIDE PDB ? 2 DLF "2,6-dideoxy-alpha-L-lyxo-hexopyranose" PDB ? 3 DLF "2,6-dideoxy-alpha-L-galactopyranose" PDB ? 4 DLF "2,6-dideoxy-alpha-L-talopyranose" PDB ? 5 DLF 2-deoxy-alpha-L-fucose PDB ? 6 DLF 2-deoxy-L-fucose PDB ? 7 DLF 2-deoxy-fucose 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 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 H2 H21 H 0 1 N N N 0.620 5.359 -6.879 -0.709 -1.610 -1.127 H2 DLF 12 DLF H22 H22 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 H61 H 0 1 N N N -3.385 8.614 -6.545 1.448 0.379 3.055 H61 DLF 17 DLF H62 H62 H 0 1 N N N -3.024 7.850 -8.070 2.355 -0.513 1.811 H62 DLF 18 DLF H63 H63 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 Y N -1.227 6.926 -3.609 -2.228 0.682 1.872 HO1 DLF 20 DLF HO3 HO3 H 0 1 N Y 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 H2 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 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" DLF 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+/m0/s1" DLF InChIKey InChI 1.03 FDWRIIDFYSUTDP-UNTFVMJOSA-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 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" DLF "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 a-L-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 DLF "CARBOHYDRATE ISOMER" L PDB ? DLF "CARBOHYDRATE RING" pyranose PDB ? DLF "CARBOHYDRATE ANOMER" alpha PDB ? DLF "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 DLF "Create component" 1999-07-08 RCSB DLF "Modify descriptor" 2011-06-04 RCSB DLF "Other modification" 2020-07-03 RCSB DLF "Modify name" 2020-07-17 RCSB DLF "Modify synonyms" 2020-07-17 RCSB DLF "Modify internal type" 2020-07-17 RCSB DLF "Modify linking type" 2020-07-17 RCSB DLF "Modify atom id" 2020-07-17 RCSB DLF "Modify component atom id" 2020-07-17 RCSB DLF "Modify leaving atom flag" 2020-07-17 RCSB ##