data_GLC # _chem_comp.id GLC _chem_comp.name alpha-D-glucopyranose _chem_comp.type "D-saccharide, alpha linking" _chem_comp.pdbx_type ATOMS _chem_comp.formula "C6 H12 O6" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "alpha-D-glucose; D-glucose; 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 AGC _chem_comp.formula_weight 180.156 _chem_comp.one_letter_code ? _chem_comp.three_letter_code GLC _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 1ANF _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site EBI # # 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 GLC alpha-D-glucose PDB ? 2 GLC D-glucose PDB ? 3 GLC 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 GLC C1 C1 C 0 1 N N S 8.537 13.141 37.436 -0.567 1.572 -0.245 C1 GLC 1 GLC C2 C2 C 0 1 N N R 8.657 12.625 38.866 -1.578 0.465 -0.554 C2 GLC 2 GLC C3 C3 C 0 1 N N S 8.946 13.753 39.819 -1.179 -0.806 0.203 C3 GLC 3 GLC C4 C4 C 0 1 N N S 10.145 14.523 39.360 0.249 -1.195 -0.192 C4 GLC 4 GLC C5 C5 C 0 1 N N R 9.847 15.161 37.965 1.189 -0.024 0.102 C5 GLC 5 GLC C6 C6 C 0 1 N N N 11.109 15.823 37.373 2.607 -0.383 -0.345 C6 GLC 6 GLC O1 O1 O 0 1 N Y N 7.343 13.747 37.260 -0.600 1.871 1.151 O1 GLC 7 GLC O2 O2 O 0 1 N N N 7.430 12.031 39.245 -2.881 0.879 -0.139 O2 GLC 8 GLC O3 O3 O 0 1 N N N 9.253 13.149 41.094 -2.075 -1.866 -0.137 O3 GLC 9 GLC O4 O4 O 0 1 N N N 10.317 15.675 40.245 0.658 -2.338 0.562 O4 GLC 10 GLC O5 O5 O 0 1 N N N 9.352 14.183 37.085 0.744 1.133 -0.608 O5 GLC 11 GLC O6 O6 O 0 1 N N N 10.583 16.542 36.238 3.506 0.661 0.035 O6 GLC 12 GLC H1 H1 H 0 1 N N N 8.756 12.230 36.860 -0.822 2.466 -0.815 H1 GLC 13 GLC H2 H2 H 0 1 N N N 9.480 11.896 38.906 -1.583 0.264 -1.626 H2 GLC 14 GLC H3 H3 H 0 1 N N N 8.087 14.437 39.879 -1.223 -0.619 1.276 H3 GLC 15 GLC H4 H4 H 0 1 N N N 11.012 13.847 39.341 0.281 -1.429 -1.257 H4 GLC 16 GLC H5 H5 H 0 1 N N N 9.086 15.944 38.101 1.187 0.184 1.173 H5 GLC 17 GLC H61 H61 H 0 1 N N N 11.595 16.496 38.095 2.913 -1.315 0.129 H61 GLC 18 GLC H62 H62 H 0 1 N N N 11.894 15.101 37.105 2.627 -0.503 -1.428 H62 GLC 19 GLC HO1 HO1 H 0 1 N Y N 6.932 13.889 38.105 0.017 2.566 1.420 HO1 GLC 20 GLC HO2 HO2 H 0 1 N Y N 7.419 11.898 40.186 -3.197 1.682 -0.576 HO2 GLC 21 GLC HO3 HO3 H 0 1 N Y N 9.320 12.207 40.991 -3.000 -1.684 0.080 HO3 GLC 22 GLC HO4 HO4 H 0 1 N Y N 10.354 15.379 41.147 0.102 -3.118 0.427 HO4 GLC 23 GLC HO6 HO6 H 0 1 N Y N 10.467 17.457 36.468 4.425 0.501 -0.218 HO6 GLC 24 # # 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 GLC C1 C2 SING N N 1 GLC C1 O1 SING N N 2 GLC C1 O5 SING N N 3 GLC C1 H1 SING N N 4 GLC C2 C3 SING N N 5 GLC C2 O2 SING N N 6 GLC C2 H2 SING N N 7 GLC C3 C4 SING N N 8 GLC C3 O3 SING N N 9 GLC C3 H3 SING N N 10 GLC C4 C5 SING N N 11 GLC C4 O4 SING N N 12 GLC C4 H4 SING N N 13 GLC C5 C6 SING N N 14 GLC C5 O5 SING N N 15 GLC C5 H5 SING N N 16 GLC C6 O6 SING N N 17 GLC C6 H61 SING N N 18 GLC C6 H62 SING N N 19 GLC O1 HO1 SING N N 20 GLC O2 HO2 SING N N 21 GLC O3 HO3 SING N N 22 GLC O4 HO4 SING N N 23 GLC O6 HO6 SING N N 24 # # 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 GLC SMILES ACDLabs 10.04 "OC1C(O)C(OC(O)C1O)CO" GLC SMILES_CANONICAL CACTVS 3.341 "OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O" GLC SMILES CACTVS 3.341 "OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O" GLC SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O" GLC SMILES "OpenEye OEToolkits" 1.5.0 "C(C1C(C(C(C(O1)O)O)O)O)O" GLC InChI InChI 1.03 "InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1" GLC InChIKey InChI 1.03 WQZGKKKJIJFFOK-DVKNGEFBSA-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 GLC "SYSTEMATIC NAME" ACDLabs 10.04 alpha-D-glucopyranose GLC "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol" GLC "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 DGlcpa GLC "COMMON NAME" GMML 1.0 a-D-glucopyranose GLC "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 a-D-Glcp GLC "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 Glc # # 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 GLC "CARBOHYDRATE ISOMER" D PDB ? GLC "CARBOHYDRATE RING" pyranose PDB ? GLC "CARBOHYDRATE ANOMER" alpha PDB ? GLC "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 GLC "Create component" 1999-07-08 EBI GLC "Modify descriptor" 2011-06-04 RCSB GLC "Other modification" 2019-08-12 RCSB GLC "Other modification" 2019-12-19 RCSB GLC "Other modification" 2020-07-03 RCSB GLC "Modify name" 2020-07-17 RCSB GLC "Modify synonyms" 2020-07-17 RCSB ##