data_293 # _chem_comp.id 293 _chem_comp.name 2-deoxy-beta-L-galacto-heptopyranose _chem_comp.type "D-saccharide, alpha linking" _chem_comp.pdbx_type ATOMS _chem_comp.formula "C7 H14 O6" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ;(2S,4R,5S,6R)-6-((S)-1,2-dihydroxyethyl)tetrahydro-2H-pyran-2,4,5-triol; 2-deoxy-L-glycero-D-manno-heptose; 2-deoxy-beta-L-galacto-heptose; 2-deoxy-L-galacto-heptose; 2-deoxy-galacto-heptose ; _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2007-11-09 _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 194.182 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 293 _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details Corina _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 2RIE _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 1 293 "(2S,4R,5S,6R)-6-((S)-1,2-dihydroxyethyl)tetrahydro-2H-pyran-2,4,5-triol" PDB ? 2 293 2-deoxy-L-glycero-D-manno-heptose PDB ? 3 293 2-deoxy-beta-L-galacto-heptose PDB ? 4 293 2-deoxy-L-galacto-heptose PDB ? 5 293 2-deoxy-galacto-heptose 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 293 C1 C1 C 0 1 N N S 27.722 -17.499 10.484 1.131 1.798 0.412 C1 293 1 293 C2 C2 C 0 1 N N N 26.341 -17.762 9.749 2.238 0.796 0.748 C2 293 2 293 C3 C3 C 0 1 N N R 26.023 -16.550 8.766 2.115 -0.419 -0.177 C3 293 3 293 C4 C4 C 0 1 N N S 25.915 -15.227 9.628 0.716 -1.025 -0.022 C4 293 4 293 C5 C5 C 0 1 N N R 27.359 -14.976 10.312 -0.333 0.047 -0.328 C5 293 5 293 C6 C6 C 0 1 N N S 27.344 -13.724 11.184 -1.732 -0.533 -0.117 C6 293 6 293 C7 C7 C 0 1 N N N 28.733 -13.466 11.813 -2.775 0.571 -0.302 C7 293 7 293 O1 O1 O 0 1 N Y N 28.961 -17.536 9.877 1.295 2.257 -0.932 O1 293 8 293 O3 O3 O 0 1 N N N 24.736 -16.827 8.112 3.099 -1.392 0.179 O3 293 9 293 O4 O4 O 0 1 N N N 25.633 -14.110 8.793 0.564 -2.115 -0.933 O4 293 10 293 O5 O5 O 0 1 N N N 27.672 -16.163 11.186 -0.142 1.162 0.546 O5 293 11 293 O6 O6 O 0 1 N N N 26.397 -13.996 12.205 -1.833 -1.066 1.204 O6 293 12 293 O7 O7 O 0 1 N N N 28.681 -12.297 12.622 -4.086 0.007 -0.221 O7 293 13 293 H1 H1 H 0 1 N N N 27.730 -18.428 11.072 1.187 2.645 1.095 H1 293 14 293 H2 H2 H 0 1 N N N 26.405 -18.696 9.171 3.211 1.266 0.604 H2 293 15 293 H2A H2A H 0 1 N N N 25.539 -17.848 10.496 2.138 0.477 1.785 H2A 293 16 293 H3 H3 H 0 1 N N N 26.810 -16.430 8.007 2.265 -0.108 -1.210 H3 293 17 293 H4 H4 H 0 1 N N N 25.113 -15.337 10.373 0.585 -1.381 1.000 H4 293 18 293 H5 H5 H 0 1 N N N 28.113 -14.843 9.522 -0.227 0.374 -1.363 H5 293 19 293 H6 H6 H 0 1 N N N 27.089 -12.829 10.597 -1.910 -1.326 -0.844 H6 293 20 293 H71 H7 H 0 1 N N N 29.019 -14.328 12.434 -2.653 1.321 0.479 H71 293 21 293 H72 H7A H 0 1 N N N 29.475 -13.324 11.014 -2.641 1.038 -1.278 H72 293 22 293 HO1 HO1 H 0 1 N Y N 28.852 -17.545 8.933 0.626 2.895 -1.214 HO1 293 23 293 HO3 HO3 H 0 1 N Y N 24.053 -16.887 8.769 4.010 -1.074 0.110 HO3 293 24 293 HO4 HO4 H 0 1 N Y N 25.570 -13.325 9.324 1.201 -2.831 -0.799 HO4 293 25 293 HO6 HO6 H 0 1 N Y N 26.842 -14.057 13.042 -1.686 -0.415 1.904 HO6 293 26 293 HO7 HO7 H 0 1 N N N 28.669 -12.546 13.539 -4.799 0.651 -0.330 HO7 293 27 # # 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 293 C2 C1 SING N N 1 293 O1 C1 SING N N 2 293 C1 O5 SING N N 3 293 C1 H1 SING N N 4 293 C3 C2 SING N N 5 293 C2 H2 SING N N 6 293 C2 H2A SING N N 7 293 O3 C3 SING N N 8 293 C3 C4 SING N N 9 293 C3 H3 SING N N 10 293 O4 C4 SING N N 11 293 C4 C5 SING N N 12 293 C4 H4 SING N N 13 293 C5 C6 SING N N 14 293 C5 O5 SING N N 15 293 C5 H5 SING N N 16 293 C6 C7 SING N N 17 293 C6 O6 SING N N 18 293 C6 H6 SING N N 19 293 C7 O7 SING N N 20 293 C7 H71 SING N N 21 293 C7 H72 SING N N 22 293 O1 HO1 SING N N 23 293 O3 HO3 SING N N 24 293 O4 HO4 SING N N 25 293 O6 HO6 SING N N 26 293 O7 HO7 SING N N 27 # # 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 293 SMILES ACDLabs 10.04 "OC1C(OC(O)CC1O)C(O)CO" 293 SMILES_CANONICAL CACTVS 3.341 "OC[C@H](O)[C@H]1O[C@H](O)C[C@@H](O)[C@@H]1O" 293 SMILES CACTVS 3.341 "OC[CH](O)[CH]1O[CH](O)C[CH](O)[CH]1O" 293 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C1[C@H]([C@@H]([C@H](O[C@@H]1O)[C@H](CO)O)O)O" 293 SMILES "OpenEye OEToolkits" 1.5.0 "C1C(C(C(OC1O)C(CO)O)O)O" 293 InChI InChI 1.03 "InChI=1S/C7H14O6/c8-2-4(10)7-6(12)3(9)1-5(11)13-7/h3-12H,1-2H2/t3-,4+,5+,6+,7-/m1/s1" 293 InChIKey InChI 1.03 XKBYYTRLKVABMB-PFCGLBSHSA-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 293 "SYSTEMATIC NAME" ACDLabs 10.04 2-deoxy-beta-L-galacto-heptopyranose 293 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2S,4R,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]oxane-2,4,5-triol" # # 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 293 "CARBOHYDRATE ISOMER" D PDB ? 293 "CARBOHYDRATE RING" pyranose PDB ? 293 "CARBOHYDRATE ANOMER" alpha PDB ? 293 "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 293 "Create component" 2007-11-09 RCSB 293 "Modify descriptor" 2011-06-04 RCSB 293 "Other modification" 2020-07-03 RCSB 293 "Modify name" 2020-07-17 RCSB 293 "Modify synonyms" 2020-07-17 RCSB 293 "Modify linking type" 2020-07-17 RCSB 293 "Modify atom id" 2020-07-17 RCSB 293 "Modify component atom id" 2020-07-17 RCSB 293 "Modify leaving atom flag" 2020-07-17 RCSB ##