data_Z6H # _chem_comp.id Z6H _chem_comp.name alpha-L-altropyranose _chem_comp.type "L-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-L-altrose; L-altrose; altrose" _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 Z6H _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 Z6H alpha-L-altrose PDB ? 2 Z6H L-altrose PDB ? 3 Z6H altrose 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 Z6H O1 O1 O 0 1 N Y N 4.109 6.412 2.449 0.914 1.462 1.513 O1 Z6H 1 Z6H C1 C1 C 0 1 N N R 3.073 7.028 3.239 0.889 1.461 0.084 C1 Z6H 2 Z6H O5 O5 O 0 1 N N N 2.718 6.269 4.414 -0.445 1.221 -0.369 O5 Z6H 3 Z6H C5 C5 C 0 1 N N S 2.182 4.944 4.159 -1.001 -0.015 0.085 C5 Z6H 4 Z6H C6 C6 C 0 1 N N N 1.985 4.243 5.522 -2.434 -0.151 -0.436 C6 Z6H 5 Z6H O6 O6 O 0 1 N N N 3.230 4.247 6.209 -3.250 0.867 0.146 O6 Z6H 6 Z6H C4 C4 C 0 1 N N R 0.869 5.035 3.326 -0.155 -1.178 -0.441 C4 Z6H 7 Z6H O4 O4 O 0 1 N N N 0.389 3.733 2.985 -0.675 -2.411 0.058 O4 Z6H 8 Z6H C3 C3 C 0 1 N N S 1.105 5.882 2.043 1.291 -1.002 0.034 C3 Z6H 9 Z6H O3 O3 O 0 1 N N N 1.892 5.120 1.132 1.335 -1.058 1.461 O3 Z6H 10 Z6H C2 C2 C 0 1 N N R 1.799 7.234 2.382 1.811 0.358 -0.441 C2 Z6H 11 Z6H O2 O2 O 0 1 N N N 0.918 8.017 3.175 1.828 0.390 -1.870 O2 Z6H 12 Z6H HO1 HO1 H 0 1 N Y N 4.298 6.956 1.693 0.350 2.137 1.916 HO1 Z6H 13 Z6H H1 H1 H 0 1 N N N 3.418 8.023 3.556 1.230 2.428 -0.286 H1 Z6H 14 Z6H H5 H5 H 0 1 N N N 2.912 4.362 3.578 -1.007 -0.033 1.174 H5 Z6H 15 Z6H H61 H61 H 0 1 N N N 1.232 4.784 6.113 -2.438 -0.045 -1.520 H61 Z6H 16 Z6H H62 H62 H 0 1 N N N 1.651 3.207 5.363 -2.827 -1.131 -0.165 H62 Z6H 17 Z6H HO6 HO6 H 0 1 N Y N 3.129 3.819 7.051 -4.174 0.842 -0.139 HO6 Z6H 18 Z6H H4 H4 H 0 1 N N N 0.117 5.554 3.939 -0.183 -1.185 -1.531 H4 Z6H 19 Z6H HO4 HO4 H 0 1 N Y N -0.411 3.812 2.478 -0.186 -3.192 -0.236 HO4 Z6H 20 Z6H H3 H3 H 0 1 N N N 0.125 6.104 1.595 1.910 -1.797 -0.382 H3 Z6H 21 Z6H HO3 HO3 H 0 1 N Y N 2.044 5.627 0.343 2.222 -0.954 1.832 HO3 Z6H 22 Z6H H2 H2 H 0 1 N N N 2.064 7.752 1.449 2.821 0.515 -0.061 H2 Z6H 23 Z6H HO2 HO2 H 0 1 N Y N 1.333 8.845 3.387 2.143 1.225 -2.241 HO2 Z6H 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 Z6H C1 C2 SING N N 1 Z6H C1 O1 SING N N 2 Z6H C1 O5 SING N N 3 Z6H C1 H1 SING N N 4 Z6H C2 C3 SING N N 5 Z6H C2 O2 SING N N 6 Z6H C2 H2 SING N N 7 Z6H C3 C4 SING N N 8 Z6H C3 O3 SING N N 9 Z6H C3 H3 SING N N 10 Z6H C4 C5 SING N N 11 Z6H C4 O4 SING N N 12 Z6H C4 H4 SING N N 13 Z6H C5 C6 SING N N 14 Z6H C5 O5 SING N N 15 Z6H C5 H5 SING N N 16 Z6H C6 O6 SING N N 17 Z6H C6 H61 SING N N 18 Z6H C6 H62 SING N N 19 Z6H O1 HO1 SING N N 20 Z6H O2 HO2 SING N N 21 Z6H O3 HO3 SING N N 22 Z6H O4 HO4 SING N N 23 Z6H 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 Z6H SMILES ACDLabs 12.01 "OC1C(O)C(OC(O)C1O)CO" Z6H 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" Z6H InChIKey InChI 1.03 WQZGKKKJIJFFOK-FQJSGBEDSA-N Z6H SMILES_CANONICAL CACTVS 3.370 "OC[C@@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O" Z6H SMILES CACTVS 3.370 "OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O" Z6H 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" Z6H 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 Z6H "SYSTEMATIC NAME" ACDLabs 12.01 alpha-L-altropyranose Z6H "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "(2R,3R,4S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol" Z6H "CONDENSED IUPAC CARBOHYDRATE SYMBOL" GMML 1.0 LAltpa Z6H "COMMON NAME" GMML 1.0 a-L-altropyranose Z6H "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 a-L-Altp Z6H "SNFG CARBOHYDRATE SYMBOL" GMML 1.0 Alt # # 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 Z6H "CARBOHYDRATE ISOMER" L PDB ? Z6H "CARBOHYDRATE RING" pyranose PDB ? Z6H "CARBOHYDRATE ANOMER" alpha PDB ? Z6H "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 Z6H "Create component" 2012-12-17 RCSB Z6H "Initial release" 2019-05-15 RCSB Z6H "Other modification" 2019-08-12 RCSB Z6H "Other modification" 2019-12-19 RCSB Z6H "Other modification" 2020-07-03 RCSB Z6H "Modify synonyms" 2020-07-17 RCSB Z6H "Modify component atom id" 2020-07-17 RCSB ##