data_ZEE # _chem_comp.id ZEE _chem_comp.name beta-L-talopyranose _chem_comp.type "L-saccharide, beta linking" _chem_comp.pdbx_type ATOMS _chem_comp.formula "C6 H12 O6" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "beta-L-talose; L-talose; talose; L-talopyranose" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2012-12-17 _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 180.156 _chem_comp.one_letter_code ? _chem_comp.three_letter_code ZEE _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 ? _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 ZEE beta-L-talose PDB ? 2 ZEE L-talose PDB ? 3 ZEE talose PDB ? 4 ZEE L-talopyranose 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 ZEE O6 O6 O 0 1 N N N 15.364 -8.286 -6.670 3.540 -0.072 0.142 O6 ZEE 1 ZEE C6 C6 C 0 1 N N N 15.207 -9.489 -7.402 2.466 0.810 -0.190 C6 ZEE 2 ZEE C5 C5 C 0 1 N N S 15.253 -10.661 -6.429 1.180 0.321 0.479 C5 ZEE 3 ZEE O5 O5 O 0 1 N N N 16.513 -10.598 -5.746 0.810 -0.946 -0.068 O5 ZEE 4 ZEE C1 C1 C 0 1 N N S 16.642 -11.588 -4.721 -0.371 -1.508 0.509 C1 ZEE 5 ZEE O1 O1 O 0 1 N Y N 17.888 -11.450 -4.040 -0.633 -2.780 -0.088 O1 ZEE 6 ZEE C2 C2 C 0 1 N N R 16.556 -13.000 -5.306 -1.555 -0.572 0.257 C2 ZEE 7 ZEE O2 O2 O 0 1 N N N 17.684 -13.233 -6.153 -1.777 -0.450 -1.149 O2 ZEE 8 ZEE C3 C3 C 0 1 N N R 15.254 -13.149 -6.096 -1.241 0.807 0.847 C3 ZEE 9 ZEE O3 O3 O 0 1 N N N 15.197 -14.412 -6.747 -2.310 1.708 0.553 O3 ZEE 10 ZEE C4 C4 C 0 1 N N S 15.079 -12.022 -7.120 0.058 1.331 0.226 C4 ZEE 11 ZEE O4 O4 O 0 1 N N N 16.043 -12.178 -8.162 -0.122 1.504 -1.181 O4 ZEE 12 ZEE HO1 H1O H 0 1 N Y N 17.955 -12.115 -3.364 0.077 -3.425 0.032 HO1 ZEE 13 ZEE HO6 H6O H 0 1 N Y N 15.337 -7.546 -7.266 4.389 0.177 -0.249 HO6 ZEE 14 ZEE H61 H61 H 0 1 N N N 14.240 -9.480 -7.926 2.700 1.815 0.162 H61 ZEE 15 ZEE H62 H62 H 0 1 N N N 16.021 -9.585 -8.136 2.330 0.826 -1.271 H62 ZEE 16 ZEE H5 H51 H 0 1 N N N 14.436 -10.539 -5.703 1.344 0.221 1.552 H5 ZEE 17 ZEE H1 H11 H 0 1 N N N 15.820 -11.471 -4.000 -0.227 -1.633 1.582 H1 ZEE 18 ZEE H2 H21 H 0 1 N N N 16.550 -13.724 -4.478 -2.448 -0.978 0.733 H2 ZEE 19 ZEE HO2 H2O H 0 1 N Y N 17.632 -14.109 -6.517 -1.977 -1.287 -1.590 HO2 ZEE 20 ZEE H3 H31 H 0 1 N N N 14.422 -13.078 -5.380 -1.122 0.722 1.927 H3 ZEE 21 ZEE HO3 H3O H 0 1 N Y N 14.382 -14.483 -7.230 -3.165 1.433 0.911 HO3 ZEE 22 ZEE H4 H41 H 0 1 N N N 14.062 -12.078 -7.535 0.318 2.287 0.681 H4 ZEE 23 ZEE HO4 H4O H 0 1 N Y N 15.924 -13.023 -8.580 -0.819 2.132 -1.414 HO4 ZEE 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 ZEE O6 C6 SING N N 1 ZEE O6 HO6 SING N N 2 ZEE C6 C5 SING N N 3 ZEE C6 H61 SING N N 4 ZEE C6 H62 SING N N 5 ZEE C5 O5 SING N N 6 ZEE C5 C4 SING N N 7 ZEE C5 H5 SING N N 8 ZEE O5 C1 SING N N 9 ZEE C1 O1 SING N N 10 ZEE C1 C2 SING N N 11 ZEE C1 H1 SING N N 12 ZEE C2 O2 SING N N 13 ZEE C2 C3 SING N N 14 ZEE C2 H2 SING N N 15 ZEE O2 HO2 SING N N 16 ZEE C3 O3 SING N N 17 ZEE C3 C4 SING N N 18 ZEE C3 H3 SING N N 19 ZEE O3 HO3 SING N N 20 ZEE C4 O4 SING N N 21 ZEE C4 H4 SING N N 22 ZEE O4 HO4 SING N N 23 ZEE HO1 O1 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 ZEE SMILES ACDLabs 12.01 "OC1C(O)C(OC(O)C1O)CO" ZEE 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-/m0/s1" ZEE InChIKey InChI 1.03 WQZGKKKJIJFFOK-BSQWINAVSA-N ZEE SMILES_CANONICAL CACTVS 3.370 "OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O" ZEE SMILES CACTVS 3.370 "OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O" ZEE SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "C([C@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)O" ZEE SMILES "OpenEye OEToolkits" 1.7.6 "C(C1C(C(C(C(O1)O)O)O)O)O" # # 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 ZEE "SYSTEMATIC NAME" ACDLabs 12.01 beta-L-talopyranose ZEE "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "(2S,3R,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol" ZEE "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 LTalpb ZEE "COMMON NAME" GMML 1.0 b-L-talopyranose ZEE "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 b-L-Talp ZEE "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 Tal # # 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 ZEE "CARBOHYDRATE ISOMER" L PDB ? ZEE "CARBOHYDRATE RING" pyranose PDB ? ZEE "CARBOHYDRATE ANOMER" beta PDB ? ZEE "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 ZEE "Create component" 2012-12-17 RCSB ZEE "Modify atom id" 2013-01-02 RCSB ZEE "Other modification" 2013-01-02 RCSB ZEE "Other modification" 2019-08-12 RCSB ZEE "Modify synonyms" 2019-09-18 RCSB ZEE "Modify synonyms" 2019-10-07 RCSB ZEE "Other modification" 2019-12-19 RCSB ZEE "Other modification" 2020-06-03 RCSB ZEE "Other modification" 2020-06-10 RCSB ZEE "Other modification" 2020-07-03 RCSB ZEE "Modify atom id" 2020-07-17 RCSB ZEE "Modify component atom id" 2020-07-17 RCSB ZEE "Initial release" 2020-07-29 RCSB ##