data_DRI # _chem_comp.id DRI _chem_comp.name "2,6-dideoxy-4-O-methyl-beta-D-glucopyranose" _chem_comp.type "D-saccharide, beta linking" _chem_comp.pdbx_type ATOMS _chem_comp.formula "C7 H14 O4" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ;4-O-METHYL-2,6-DIDEOXY-BETA-D-GLUCOSE; 4-O-METHYL-2,6-DIDEOXY-BETA-D-MANNOSE; 2,6-dideoxy-4-O-methyl-beta-D-glucose; 2,6-dideoxy-4-O-methyl-D-glucose; 2,6-dideoxy-4-O-methyl-glucose ; _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 162.184 _chem_comp.one_letter_code ? _chem_comp.three_letter_code DRI _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 1CP8 _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 DRI "4-O-METHYL-2,6-DIDEOXY-BETA-D-GLUCOSE" PDB ? 2 DRI "4-O-METHYL-2,6-DIDEOXY-BETA-D-MANNOSE" PDB ? 3 DRI "2,6-dideoxy-4-O-methyl-beta-D-glucose" PDB ? 4 DRI "2,6-dideoxy-4-O-methyl-D-glucose" PDB ? 5 DRI "2,6-dideoxy-4-O-methyl-glucose" 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 DRI O1 O1 O 0 1 N Y N 8.421 7.322 -5.171 -0.381 -0.169 -3.287 O1 DRI 1 DRI C1 C1 C 0 1 N N R 7.165 7.706 -5.728 -0.183 0.280 -1.945 C1 DRI 2 DRI C5 C5 C 0 1 N N R 6.219 8.855 -7.511 1.267 0.311 -0.158 C5 DRI 3 DRI C2 C2 C 0 1 N N N 6.280 8.352 -4.666 -1.379 -0.139 -1.088 C2 DRI 4 DRI C3 C3 C 0 1 N N R 4.936 8.770 -5.269 -1.175 0.373 0.342 C3 DRI 5 DRI O3 O3 O 0 1 N N N 4.282 9.664 -4.384 -2.210 -0.136 1.186 O3 DRI 6 DRI C4 C4 C 0 1 N N S 5.118 9.486 -6.628 0.190 -0.106 0.845 C4 DRI 7 DRI O4 O4 O 0 1 N N N 3.881 9.500 -7.331 0.466 0.485 2.116 O4 DRI 8 DRI CME CME C 0 1 N N N 3.468 8.253 -7.862 -0.050 -0.405 3.107 CME DRI 9 DRI O5 O5 O 0 1 N N N 7.381 8.647 -6.744 1.011 -0.297 -1.423 O5 DRI 10 DRI C6 C6 C 0 1 N N N 6.568 9.760 -8.693 2.639 -0.136 0.351 C6 DRI 11 DRI HO1 HO1 H 0 1 N Y N 8.972 6.919 -5.832 0.389 0.118 -3.795 HO1 DRI 12 DRI H1 H1 H 0 1 N N N 6.659 6.840 -6.155 -0.095 1.366 -1.936 H1 DRI 13 DRI H5 H5 H 0 1 N N N 5.890 7.890 -7.881 1.259 1.395 -0.269 H5 DRI 14 DRI H2 H21 H 0 1 N N N 6.784 9.223 -4.246 -2.292 0.287 -1.502 H2 DRI 15 DRI H22 H22 H 0 1 N N N 6.117 7.653 -3.845 -1.456 -1.227 -1.076 H22 DRI 16 DRI H3 H3 H 0 1 N N N 4.308 7.883 -5.379 -1.203 1.463 0.347 H3 DRI 17 DRI HO3 HO3 H 0 1 N Y N 3.448 9.923 -4.758 -3.048 0.182 0.824 HO3 DRI 18 DRI H4 H4 H 0 1 N N N 5.389 10.524 -6.433 0.183 -1.191 0.941 H4 DRI 19 DRI H41 H41 H 0 1 N N N 3.923 7.426 -7.321 0.137 0.005 4.098 H41 DRI 20 DRI H42 H42 H 0 1 N N N 3.755 8.178 -8.911 -1.124 -0.526 2.961 H42 DRI 21 DRI H43 H43 H 0 1 N N N 2.385 8.156 -7.793 0.439 -1.374 3.016 H43 DRI 22 DRI H61 H61 H 0 1 N N N 5.667 10.176 -9.144 3.407 0.160 -0.362 H61 DRI 23 DRI H62 H62 H 0 1 N N N 7.103 9.204 -9.464 2.838 0.331 1.315 H62 DRI 24 DRI H63 H63 H 0 1 N N N 7.199 10.589 -8.376 2.647 -1.220 0.465 H63 DRI 25 # # 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 DRI O1 C1 SING N N 1 DRI O1 HO1 SING N N 2 DRI C1 C2 SING N N 3 DRI C1 O5 SING N N 4 DRI C1 H1 SING N N 5 DRI C5 C4 SING N N 6 DRI C5 O5 SING N N 7 DRI C5 C6 SING N N 8 DRI C5 H5 SING N N 9 DRI C2 C3 SING N N 10 DRI C2 H2 SING N N 11 DRI C2 H22 SING N N 12 DRI C3 O3 SING N N 13 DRI C3 C4 SING N N 14 DRI C3 H3 SING N N 15 DRI O3 HO3 SING N N 16 DRI C4 O4 SING N N 17 DRI C4 H4 SING N N 18 DRI O4 CME SING N N 19 DRI CME H41 SING N N 20 DRI CME H42 SING N N 21 DRI CME H43 SING N N 22 DRI C6 H61 SING N N 23 DRI C6 H62 SING N N 24 DRI C6 H63 SING N N 25 # # 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 DRI SMILES ACDLabs 10.04 "O(C1C(OC(O)CC1O)C)C" DRI SMILES_CANONICAL CACTVS 3.341 "CO[C@@H]1[C@@H](C)O[C@@H](O)C[C@H]1O" DRI SMILES CACTVS 3.341 "CO[CH]1[CH](C)O[CH](O)C[CH]1O" DRI SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O)O)OC" DRI SMILES "OpenEye OEToolkits" 1.5.0 "CC1C(C(CC(O1)O)O)OC" DRI InChI InChI 1.03 "InChI=1S/C7H14O4/c1-4-7(10-2)5(8)3-6(9)11-4/h4-9H,3H2,1-2H3/t4-,5-,6-,7-/m1/s1" DRI InChIKey InChI 1.03 CDRBUGSWTNDUSM-DBRKOABJSA-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 DRI "SYSTEMATIC NAME" ACDLabs 10.04 "2,6-dideoxy-4-O-methyl-beta-D-arabino-hexopyranose" DRI "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2R,4R,5S,6R)-5-methoxy-6-methyl-oxane-2,4-diol" DRI "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 "b-D-2,6-deoxy-Glcp4OMe" # # 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 DRI "CARBOHYDRATE ISOMER" D PDB ? DRI "CARBOHYDRATE RING" pyranose PDB ? DRI "CARBOHYDRATE ANOMER" beta PDB ? DRI "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 DRI "Create component" 1999-07-08 RCSB DRI "Modify descriptor" 2011-06-04 RCSB DRI "Other modification" 2020-07-03 RCSB DRI "Modify name" 2020-07-17 RCSB DRI "Modify synonyms" 2020-07-17 RCSB DRI "Modify linking type" 2020-07-17 RCSB DRI "Modify atom id" 2020-07-17 RCSB DRI "Modify component atom id" 2020-07-17 RCSB DRI "Modify leaving atom flag" 2020-07-17 RCSB ##