data_WOO # _chem_comp.id WOO _chem_comp.name beta-L-allopyranose _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-allose; L-allose; allose" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2014-07-23 _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 WOO _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 3WW4 _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site PDBJ # # 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 WOO beta-L-allose PDB ? 2 WOO L-allose PDB ? 3 WOO allose 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 WOO C1 C1 C 0 1 N N S 10.357 14.426 6.962 0.981 -1.141 -0.224 C1 WOO 1 WOO O1 O1 O 0 1 N Y N 9.031 14.323 7.346 1.650 -2.360 0.104 O1 WOO 2 WOO C2 C2 C 0 1 N N S 10.918 15.801 7.355 1.650 0.022 0.513 C2 WOO 3 WOO O2 O2 O 0 1 N N N 10.877 15.957 8.769 3.005 0.148 0.078 O2 WOO 4 WOO C3 C3 C 0 1 N N S 12.364 15.925 6.853 0.891 1.317 0.204 C3 WOO 5 WOO O3 O3 O 0 1 N N N 13.180 14.968 7.513 0.976 1.598 -1.195 O3 WOO 6 WOO C4 C4 C 0 1 N N R 12.416 15.666 5.344 -0.577 1.143 0.603 C4 WOO 7 WOO O4 O4 O 0 1 N N N 13.767 15.661 4.910 -1.310 2.319 0.254 O4 WOO 8 WOO C5 C5 C 0 1 N N S 11.776 14.306 5.037 -1.160 -0.064 -0.138 C5 WOO 9 WOO O5 O5 O 0 1 N N N 10.420 14.262 5.539 -0.389 -1.228 0.170 O5 WOO 10 WOO C6 C6 C 0 1 N N N 11.716 13.995 3.556 -2.609 -0.281 0.301 C6 WOO 11 WOO O6 O6 O 0 1 N N N 11.209 12.687 3.333 -3.189 -1.332 -0.474 O6 WOO 12 WOO H1 H1 H 0 1 N N N 10.962 13.650 7.454 1.041 -0.972 -1.299 H1 WOO 13 WOO HO1 H2 H 0 1 N Y N 8.964 14.429 8.288 1.278 -3.141 -0.329 HO1 WOO 14 WOO H2 H3 H 0 1 N N N 10.310 16.579 6.870 1.628 -0.166 1.587 H2 WOO 15 WOO HO2 H4 H 0 1 N Y N 9.980 15.879 9.071 3.544 -0.639 0.238 HO2 WOO 16 WOO H3 H5 H 0 1 N N N 12.725 16.944 7.054 1.329 2.140 0.769 H3 WOO 17 WOO HO3 H6 H 0 1 N Y N 13.154 15.121 8.450 1.880 1.713 -1.518 HO3 WOO 18 WOO H4 H7 H 0 1 N N N 11.848 16.453 4.827 -0.645 0.977 1.679 H4 WOO 19 WOO HO4 H8 H 0 1 N Y N 14.164 16.503 5.100 -0.991 3.123 0.685 HO4 WOO 20 WOO H5 H9 H 0 1 N N N 12.373 13.526 5.532 -1.129 0.119 -1.212 H5 WOO 21 WOO H61 H10 H 0 1 N N N 12.728 14.066 3.132 -2.633 -0.552 1.357 H61 WOO 22 WOO H62 H11 H 0 1 N N N 11.059 14.725 3.061 -3.176 0.638 0.149 H62 WOO 23 WOO HO6 H12 H 0 1 N Y N 11.180 12.513 2.400 -4.110 -1.525 -0.249 HO6 WOO 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 WOO O6 C6 SING N N 1 WOO C6 C5 SING N N 2 WOO O4 C4 SING N N 3 WOO C5 C4 SING N N 4 WOO C5 O5 SING N N 5 WOO C4 C3 SING N N 6 WOO O5 C1 SING N N 7 WOO C3 C2 SING N N 8 WOO C3 O3 SING N N 9 WOO C1 O1 SING N N 10 WOO C1 C2 SING N N 11 WOO C2 O2 SING N N 12 WOO C1 H1 SING N N 13 WOO O1 HO1 SING N N 14 WOO C2 H2 SING N N 15 WOO O2 HO2 SING N N 16 WOO C3 H3 SING N N 17 WOO O3 HO3 SING N N 18 WOO C4 H4 SING N N 19 WOO O4 HO4 SING N N 20 WOO C5 H5 SING N N 21 WOO C6 H61 SING N N 22 WOO C6 H62 SING N N 23 WOO 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 WOO SMILES ACDLabs 12.01 "OC1C(O)C(OC(O)C1O)CO" WOO 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" WOO InChIKey InChI 1.03 WQZGKKKJIJFFOK-RUTHBDMASA-N WOO SMILES_CANONICAL CACTVS 3.385 "OC[C@@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O" WOO SMILES CACTVS 3.385 "OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O" WOO 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" WOO 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 WOO "SYSTEMATIC NAME" ACDLabs 12.01 beta-L-allopyranose WOO "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "(2S,3S,4S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol" WOO "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 LAllpb WOO "COMMON NAME" GMML 1.0 b-L-allopyranose WOO "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 b-L-Allp WOO "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 All # # 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 WOO "CARBOHYDRATE ISOMER" L PDB ? WOO "CARBOHYDRATE RING" pyranose PDB ? WOO "CARBOHYDRATE ANOMER" beta PDB ? WOO "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 WOO "Create component" 2014-07-23 PDBJ WOO "Initial release" 2015-04-29 RCSB WOO "Other modification" 2019-08-12 RCSB WOO "Other modification" 2019-12-19 RCSB WOO "Other modification" 2020-07-03 RCSB WOO "Modify synonyms" 2020-07-17 RCSB WOO "Modify atom id" 2020-07-17 RCSB WOO "Modify component atom id" 2020-07-17 RCSB ##