data_LFR # _chem_comp.id LFR _chem_comp.name beta-L-fructofuranose _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-fructose; L-fructose; fructose; BETA-L-FRUCTO-FURANOSE" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2006-03-09 _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 180.156 _chem_comp.one_letter_code ? _chem_comp.three_letter_code LFR _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 2CGJ _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 LFR beta-L-fructose PDB ? 2 LFR L-fructose PDB ? 3 LFR fructose PDB ? 4 LFR BETA-L-FRUCTO-FURANOSE 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 LFR C1 C1 C 0 1 N N N 63.465 70.828 19.748 -2.095 0.648 -0.892 C1 LFR 1 LFR C2 C2 C 0 1 N N S 63.342 71.327 21.190 -1.063 0.134 0.113 C2 LFR 2 LFR C3 C3 C 0 1 N N R 61.879 71.382 21.651 -0.603 -1.285 -0.285 C3 LFR 3 LFR C4 C4 C 0 1 N N R 62.092 71.402 23.157 0.918 -1.242 0.033 C4 LFR 4 LFR C5 C5 C 0 1 N N S 63.104 70.255 23.265 1.247 0.233 -0.309 C5 LFR 5 LFR C6 C6 C 0 1 N N N 63.958 70.235 24.558 2.482 0.695 0.465 C6 LFR 6 LFR O1 O1 O 0 1 N N N 64.826 70.500 19.453 -2.507 1.965 -0.520 O1 LFR 7 LFR O2 O2 O 0 1 N Y N 63.946 72.608 21.306 -1.633 0.109 1.423 O2 LFR 8 LFR O3 O3 O 0 1 N N N 61.253 72.583 21.192 -1.265 -2.274 0.506 O3 LFR 9 LFR O4 O4 O 0 1 N N N 60.894 71.073 23.851 1.645 -2.143 -0.805 O4 LFR 10 LFR O5 O5 O 0 1 N N N 63.994 70.438 22.113 0.092 0.982 0.102 O5 LFR 11 LFR O6 O6 O 0 1 N N N 64.548 71.517 24.797 2.819 2.028 0.075 O6 LFR 12 LFR H11 H1C1 H 0 1 N N N 63.045 71.558 19.017 -1.651 0.675 -1.887 H11 LFR 13 LFR H12 H1C2 H 0 1 N N N 62.777 69.975 19.542 -2.959 -0.015 -0.898 H12 LFR 14 LFR H3 H3 H 0 1 N N N 61.314 70.476 21.329 -0.771 -1.464 -1.347 H3 LFR 15 LFR H4 H4 H 0 1 N N N 62.522 72.371 23.504 1.106 -1.451 1.086 H4 LFR 16 LFR H5 H5 H 0 1 N N N 62.568 69.282 23.164 1.409 0.346 -1.381 H5 LFR 17 LFR H61 H6C1 H 0 1 N N N 64.725 69.426 24.534 3.318 0.030 0.247 H61 LFR 18 LFR H62 H6C2 H 0 1 N N N 63.369 69.882 25.436 2.271 0.673 1.534 H62 LFR 19 LFR HO1 H1 H 0 1 N Y N 64.902 70.190 18.558 -3.156 2.251 -1.178 HO1 LFR 20 LFR HO2 H2 H 0 1 N Y N 63.870 72.918 22.201 -1.898 1.016 1.630 HO2 LFR 21 LFR HO3 HA H 0 1 N Y N 60.347 72.617 21.477 -0.936 -3.134 0.210 HO3 LFR 22 LFR HO4 HB H 0 1 N Y N 61.027 71.086 24.792 2.576 -2.066 -0.557 HO4 LFR 23 LFR HO6 H6 H 0 1 N Y N 65.072 71.505 25.590 3.601 2.280 0.585 HO6 LFR 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 LFR C1 C2 SING N N 1 LFR C1 O1 SING N N 2 LFR C1 H11 SING N N 3 LFR C1 H12 SING N N 4 LFR C2 C3 SING N N 5 LFR C2 O2 SING N N 6 LFR C2 O5 SING N N 7 LFR C3 C4 SING N N 8 LFR C3 O3 SING N N 9 LFR C3 H3 SING N N 10 LFR C4 C5 SING N N 11 LFR C4 O4 SING N N 12 LFR C4 H4 SING N N 13 LFR C5 C6 SING N N 14 LFR C5 O5 SING N N 15 LFR C5 H5 SING N N 16 LFR C6 O6 SING N N 17 LFR C6 H61 SING N N 18 LFR C6 H62 SING N N 19 LFR O1 HO1 SING N N 20 LFR O2 HO2 SING N N 21 LFR O3 HO3 SING N N 22 LFR O4 HO4 SING N N 23 LFR 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 LFR SMILES ACDLabs 10.04 "OC1C(O)C(OC1(O)CO)CO" LFR SMILES_CANONICAL CACTVS 3.341 "OC[C@@H]1O[C@@](O)(CO)[C@H](O)[C@H]1O" LFR SMILES CACTVS 3.341 "OC[CH]1O[C](O)(CO)[CH](O)[CH]1O" LFR SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C([C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O)O" LFR SMILES "OpenEye OEToolkits" 1.5.0 "C(C1C(C(C(O1)(CO)O)O)O)O" LFR InChI InChI 1.03 "InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m0/s1" LFR InChIKey InChI 1.03 RFSUNEUAIZKAJO-AZGQCCRYSA-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 LFR "SYSTEMATIC NAME" ACDLabs 10.04 beta-L-fructofuranose LFR "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2S,3R,4R,5S)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol" LFR "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 LFrufb LFR "COMMON NAME" GMML 1.0 b-L-fructofuranose LFR "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 b-L-Fruf LFR "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 Fru # # 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 LFR "CARBOHYDRATE ISOMER" L PDB ? LFR "CARBOHYDRATE RING" furanose PDB ? LFR "CARBOHYDRATE ANOMER" beta PDB ? LFR "CARBOHYDRATE PRIMARY CARBONYL GROUP" ketose 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 LFR "Create component" 2006-03-09 EBI LFR "Modify descriptor" 2011-06-04 RCSB LFR "Other modification" 2019-08-12 RCSB LFR "Other modification" 2019-12-19 RCSB LFR "Other modification" 2020-07-03 RCSB LFR "Modify name" 2020-07-17 RCSB LFR "Modify synonyms" 2020-07-17 RCSB LFR "Modify atom id" 2020-07-17 RCSB LFR "Modify component atom id" 2020-07-17 RCSB ##