data_LAI # _chem_comp.id LAI _chem_comp.name L-arabinose _chem_comp.type L-saccharide _chem_comp.pdbx_type ATOMS _chem_comp.formula "C5 H10 O5" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2010-01-27 _chem_comp.pdbx_modified_date 2020-06-24 _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 150.130 _chem_comp.one_letter_code ? _chem_comp.three_letter_code LAI _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 3LBC _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site PDBJ # # 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 LAI O5 O1 O 0 1 N N N -7.376 -78.028 -21.550 3.543 0.198 0.430 O1 LAI 1 LAI C5 C2 C 0 1 N N N -6.370 -77.083 -21.913 2.367 0.685 -0.219 C2 LAI 2 LAI C4 C4 C 0 1 N N S -7.034 -75.871 -22.581 1.194 -0.250 0.081 C4 LAI 3 LAI C3 C6 C 0 1 N N S -6.310 -74.578 -23.016 -0.090 0.336 -0.509 C6 LAI 4 LAI C2 C8 C 0 1 N N R -7.376 -73.612 -23.595 -1.263 -0.599 -0.208 C8 LAI 5 LAI C1 C10 C 0 1 N N N -6.989 -72.258 -24.126 -2.545 0.036 -0.681 C10 LAI 6 LAI O4 O14 O 0 1 N N N -7.579 -76.307 -23.843 1.444 -1.531 -0.501 O14 LAI 7 LAI O3 O16 O 0 1 N N N -5.665 -73.977 -21.878 -0.340 1.617 0.073 O16 LAI 8 LAI O2 O18 O 0 1 N N N -8.421 -73.461 -22.616 -1.338 -0.832 1.200 O18 LAI 9 LAI O1 O20 O 0 1 N N N -7.176 -71.237 -23.441 -3.432 0.265 0.106 O20 LAI 10 LAI HO5 HO1 H 0 1 N N N -6.970 -78.780 -21.136 4.328 0.743 0.283 HO1 LAI 11 LAI H51 H2 H 0 1 N N N -5.830 -76.757 -21.012 2.138 1.685 0.147 H2 LAI 12 LAI H52 H2A H 0 1 N N N -5.664 -77.549 -22.616 2.536 0.722 -1.296 H2A LAI 13 LAI H4 H4 H 0 1 N N N -7.870 -75.566 -21.935 1.082 -0.357 1.160 H4 LAI 14 LAI H3 H6 H 0 1 N N N -5.576 -74.818 -23.799 0.022 0.443 -1.588 H6 LAI 15 LAI H2 H8 H 0 1 N N N -7.821 -74.149 -24.445 -1.114 -1.547 -0.726 H8 LAI 16 LAI H1 H10 H 0 1 N N N -6.546 -72.173 -25.107 -2.671 0.285 -1.724 H10 LAI 17 LAI HO4 HO14 H 0 0 N N N -7.997 -75.573 -24.278 1.555 -1.512 -1.461 HO14 LAI 18 LAI HO3 HO16 H 0 0 N N N -5.221 -73.182 -22.149 -0.451 1.598 1.033 HO16 LAI 19 LAI HO2 HO18 H 0 0 N N N -8.519 -72.542 -22.396 -1.470 -0.030 1.724 HO18 LAI 20 # # 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 LAI O5 C5 SING N N 1 LAI C5 C4 SING N N 2 LAI C4 C3 SING N N 3 LAI C4 O4 SING N N 4 LAI C3 C2 SING N N 5 LAI C3 O3 SING N N 6 LAI C2 C1 SING N N 7 LAI C2 O2 SING N N 8 LAI C1 O1 DOUB N N 9 LAI O5 HO5 SING N N 10 LAI C5 H51 SING N N 11 LAI C5 H52 SING N N 12 LAI C4 H4 SING N N 13 LAI C3 H3 SING N N 14 LAI C2 H2 SING N N 15 LAI C1 H1 SING N N 16 LAI O4 HO4 SING N N 17 LAI O3 HO3 SING N N 18 LAI O2 HO2 SING N N 19 # # 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 LAI SMILES ACDLabs 12.01 "OCC(C(C(C=O)O)O)O" LAI InChI InChI 1.03 "InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m0/s1" LAI InChIKey InChI 1.03 PYMYPHUHKUWMLA-VAYJURFESA-N LAI SMILES_CANONICAL CACTVS 3.385 "OC[C@H](O)[C@H](O)[C@@H](O)C=O" LAI SMILES CACTVS 3.385 "OC[CH](O)[CH](O)[CH](O)C=O" LAI SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "C([C@@H]([C@@H]([C@H](C=O)O)O)O)O" LAI SMILES "OpenEye OEToolkits" 1.7.6 "C(C(C(C(C=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 LAI "SYSTEMATIC NAME" ACDLabs 12.01 L-arabinose LAI "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "(2R,3S,4S)-2,3,4,5-tetrakis(oxidanyl)pentanal" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site LAI "Create component" 2010-01-27 PDBJ LAI "Modify descriptor" 2011-06-04 RCSB LAI "Modify atom id" 2020-06-24 RCSB ##