data_RM4 # _chem_comp.id RM4 _chem_comp.name beta-L-rhamnopyranose _chem_comp.type "L-saccharide, beta linking" _chem_comp.pdbx_type ATOMS _chem_comp.formula "C6 H12 O5" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "beta-L-rhamnose; 6-deoxy-beta-L-mannopyranose; L-rhamnose; rhamnose" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2008-10-22 _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 164.156 _chem_comp.one_letter_code ? _chem_comp.three_letter_code RM4 _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 2QLX _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 RM4 beta-L-rhamnose PDB ? 2 RM4 6-deoxy-beta-L-mannopyranose PDB ? 3 RM4 L-rhamnose PDB ? 4 RM4 rhamnose 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 RM4 C1 C1 C 0 1 N N S 3.551 17.760 14.612 1.474 -0.452 -0.600 C1 RM4 1 RM4 C2 C2 C 0 1 N N R 2.040 17.600 14.432 1.056 0.961 -0.183 C2 RM4 2 RM4 C3 C3 C 0 1 N N R 1.816 16.620 13.268 -0.422 1.169 -0.525 C3 RM4 3 RM4 C4 C4 C 0 1 N N R 2.641 15.323 13.415 -1.254 0.087 0.170 C4 RM4 4 RM4 C5 C5 C 0 1 N N S 4.098 15.622 13.736 -0.747 -1.291 -0.261 C5 RM4 5 RM4 C6 C6 C 0 1 N N N 4.806 14.324 14.108 -1.533 -2.378 0.476 C6 RM4 6 RM4 O1 O1 O 0 1 N Y N 3.773 18.674 15.662 2.837 -0.674 -0.233 O1 RM4 7 RM4 O2 O2 O 0 1 N N N 1.415 17.262 15.682 1.247 1.119 1.224 O2 RM4 8 RM4 O3 O3 O 0 1 N N N 0.422 16.328 13.063 -0.840 2.459 -0.073 O3 RM4 9 RM4 O4 O4 O 0 1 N N N 2.570 14.500 12.224 -2.627 0.228 -0.200 O4 RM4 10 RM4 O5 O5 O 0 1 N N N 4.210 16.509 14.848 0.641 -1.408 0.059 O5 RM4 11 RM4 H1 H1 H 0 1 N N N 3.987 18.147 13.679 1.366 -0.559 -1.680 H1 RM4 12 RM4 H2 H2 H 0 1 N N N 1.542 18.539 14.150 1.661 1.692 -0.717 H2 RM4 13 RM4 H3 H3 H 0 1 N N N 2.183 17.135 12.368 -0.560 1.098 -1.604 H3 RM4 14 RM4 H4 H4 H 0 1 N N N 2.197 14.766 14.253 -1.155 0.190 1.251 H4 RM4 15 RM4 H5 H5 H 0 1 N N N 4.551 16.088 12.848 -0.884 -1.409 -1.336 H5 RM4 16 RM4 H61 H6 H 0 1 N N N 4.977 13.726 13.201 -2.592 -2.288 0.233 H61 RM4 17 RM4 H62 H6A H 0 1 N N N 5.772 14.556 14.581 -1.172 -3.359 0.169 H62 RM4 18 RM4 H63 H6B H 0 1 N N N 4.181 13.754 14.811 -1.396 -2.260 1.551 H63 RM4 19 RM4 HO1 HO1 H 0 1 N Y N 3.823 18.204 16.486 3.170 -1.551 -0.467 HO1 RM4 20 RM4 HO2 HO2 H 0 1 N Y N 2.078 17.187 16.358 2.161 0.995 1.513 HO2 RM4 21 RM4 HO3 HO3 H 0 1 N Y N -0.016 16.264 13.904 -0.350 3.192 -0.468 HO3 RM4 22 RM4 HO4 HO4 H 0 1 N Y N 2.554 15.057 11.454 -3.213 -0.426 0.205 HO4 RM4 23 # # 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 RM4 C2 C1 SING N N 1 RM4 C1 O5 SING N N 2 RM4 C1 O1 SING N N 3 RM4 C1 H1 SING N N 4 RM4 C3 C2 SING N N 5 RM4 C2 O2 SING N N 6 RM4 C2 H2 SING N N 7 RM4 O3 C3 SING N N 8 RM4 C3 C4 SING N N 9 RM4 C3 H3 SING N N 10 RM4 O4 C4 SING N N 11 RM4 C4 C5 SING N N 12 RM4 C4 H4 SING N N 13 RM4 C5 C6 SING N N 14 RM4 C5 O5 SING N N 15 RM4 C5 H5 SING N N 16 RM4 C6 H61 SING N N 17 RM4 C6 H62 SING N N 18 RM4 C6 H63 SING N N 19 RM4 O1 HO1 SING N N 20 RM4 O2 HO2 SING N N 21 RM4 O3 HO3 SING N N 22 RM4 O4 HO4 SING N N 23 # # 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 RM4 SMILES ACDLabs 10.04 "OC1C(O)C(OC(O)C1O)C" RM4 SMILES_CANONICAL CACTVS 3.341 "C[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O" RM4 SMILES CACTVS 3.341 "C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O" RM4 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O" RM4 SMILES "OpenEye OEToolkits" 1.5.0 "CC1C(C(C(C(O1)O)O)O)O" RM4 InChI InChI 1.03 "InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6-/m0/s1" RM4 InChIKey InChI 1.03 SHZGCJCMOBCMKK-YJRYQGEOSA-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 RM4 "SYSTEMATIC NAME" ACDLabs 10.04 6-deoxy-beta-L-mannopyranose RM4 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2S,3R,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol" RM4 "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 LRhapb RM4 "COMMON NAME" GMML 1.0 b-L-rhamnopyranose RM4 "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 b-L-Rhap RM4 "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 Rha # # 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 RM4 "CARBOHYDRATE ISOMER" L PDB ? RM4 "CARBOHYDRATE RING" pyranose PDB ? RM4 "CARBOHYDRATE ANOMER" beta PDB ? RM4 "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 RM4 "Create component" 2008-10-22 RCSB RM4 "Modify descriptor" 2011-06-04 RCSB RM4 "Other modification" 2019-08-12 RCSB RM4 "Other modification" 2019-12-19 RCSB RM4 "Other modification" 2020-07-03 RCSB RM4 "Modify name" 2020-07-17 RCSB RM4 "Modify synonyms" 2020-07-17 RCSB RM4 "Modify atom id" 2020-07-17 RCSB RM4 "Modify component atom id" 2020-07-17 RCSB ##