data_AH8 # _chem_comp.id AH8 _chem_comp.name "(2R,3R,4R,5S)-2-azido-5-(hydroxymethyl)oxolane-3,4-diol" _chem_comp.type L-saccharide _chem_comp.pdbx_type ATOMS _chem_comp.formula "C5 H9 N3 O4" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "(2R,3R,4R,5S)-2-azido-5-(hydroxymethyl)tetrahydrofuran-3,4-diol" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2010-08-03 _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 175.143 _chem_comp.one_letter_code ? _chem_comp.three_letter_code AH8 _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 3AKI _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site PDBJ # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id AH8 _pdbx_chem_comp_synonyms.name "(2R,3R,4R,5S)-2-azido-5-(hydroxymethyl)tetrahydrofuran-3,4-diol" _pdbx_chem_comp_synonyms.provenance PDB _pdbx_chem_comp_synonyms.type ? # # 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 AH8 C1 C1 C 0 1 N N R 10.380 -19.787 -5.684 0.904 -0.029 0.574 C1 AH8 1 AH8 N1 N1 N 0 1 N N N 11.419 -20.744 -6.067 1.664 -0.614 -0.534 N1 AH8 2 AH8 C2 C2 C 0 1 N N R 10.981 -18.549 -5.043 0.422 1.391 0.205 C2 AH8 3 AH8 N2 N2 N 1 1 N N N 11.110 -21.239 -7.038 2.735 -0.920 -0.380 N2 AH8 4 AH8 O2 O2 O 0 1 N N N 10.504 -18.446 -3.698 0.400 2.229 1.362 O2 AH8 5 AH8 C3 C3 C 0 1 N N R 10.390 -17.422 -5.875 -1.010 1.174 -0.334 C3 AH8 6 AH8 N3 N3 N -1 1 N N N 10.821 -21.656 -8.056 3.805 -1.226 -0.227 N3 AH8 7 AH8 O3 O3 O 0 1 N N N 11.274 -16.303 -5.872 -1.103 1.598 -1.695 O3 AH8 8 AH8 C4 C4 C 0 1 N N S 10.312 -18.077 -7.251 -1.224 -0.352 -0.226 C4 AH8 9 AH8 O4 O4 O 0 1 N N N 9.718 -19.329 -6.913 -0.308 -0.781 0.804 O4 AH8 10 AH8 C5 C5 C 0 1 N N N 9.294 -17.406 -8.189 -2.666 -0.660 0.181 C5 AH8 11 AH8 O5 O5 O 0 1 N N N 7.963 -17.489 -7.627 -2.875 -2.074 0.162 O5 AH8 12 AH8 H1 H1 H 0 1 N N N 9.696 -20.281 -4.978 1.512 -0.001 1.478 H1 AH8 13 AH8 H2 H2 H 0 1 N N N 12.081 -18.547 -5.014 1.061 1.823 -0.566 H2 AH8 14 AH8 HO2 HO2 H 0 1 N Y N 10.875 -17.673 -3.288 1.265 2.350 1.777 HO2 AH8 15 AH8 H3 H3 H 0 1 N N N 9.424 -17.033 -5.520 -1.735 1.708 0.282 H3 AH8 16 AH8 HO3 HO3 H 0 1 N Y N 10.900 -15.602 -6.393 -0.917 2.538 -1.828 HO3 AH8 17 AH8 H4 H4 H 0 1 N N N 11.290 -18.065 -7.755 -0.984 -0.836 -1.173 H4 AH8 18 AH8 H51 H5 H 0 1 N N N 9.566 -16.348 -8.321 -2.849 -0.280 1.186 H51 AH8 19 AH8 H52 H5A H 0 1 N N N 9.308 -17.917 -9.163 -3.352 -0.182 -0.519 H52 AH8 20 AH8 HO5 HO5 H 0 1 N Y N 7.344 -17.072 -8.215 -3.770 -2.343 0.410 HO5 AH8 21 # # 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 AH8 C1 N1 SING N N 1 AH8 C1 C2 SING N N 2 AH8 C1 O4 SING N N 3 AH8 N1 N2 DOUB N N 4 AH8 C2 O2 SING N N 5 AH8 C2 C3 SING N N 6 AH8 N2 N3 DOUB N N 7 AH8 C3 O3 SING N N 8 AH8 C3 C4 SING N N 9 AH8 C4 O4 SING N N 10 AH8 C4 C5 SING N N 11 AH8 C5 O5 SING N N 12 AH8 C1 H1 SING N N 13 AH8 C2 H2 SING N N 14 AH8 O2 HO2 SING N N 15 AH8 C3 H3 SING N N 16 AH8 O3 HO3 SING N N 17 AH8 C4 H4 SING N N 18 AH8 C5 H51 SING N N 19 AH8 C5 H52 SING N N 20 AH8 O5 HO5 SING N N 21 # # 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 AH8 SMILES ACDLabs 12.01 "[N-]=[N+]=N/C1OC(C(O)C1O)CO" AH8 SMILES_CANONICAL CACTVS 3.370 "OC[C@@H]1O[C@@H](N=[N+]=[N-])[C@H](O)[C@H]1O" AH8 SMILES CACTVS 3.370 "OC[CH]1O[CH](N=[N+]=[N-])[CH](O)[CH]1O" AH8 SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "C([C@H]1[C@@H]([C@H]([C@@H](O1)N=[N+]=[N-])O)O)O" AH8 SMILES "OpenEye OEToolkits" 1.7.0 "C(C1C(C(C(O1)N=[N+]=[N-])O)O)O" AH8 InChI InChI 1.03 "InChI=1S/C5H9N3O4/c6-8-7-5-4(11)3(10)2(1-9)12-5/h2-5,9-11H,1H2/t2-,3-,4+,5+/m0/s1" AH8 InChIKey InChI 1.03 DHFFHQUOZLQWBU-QMKXCQHVSA-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 AH8 "SYSTEMATIC NAME" ACDLabs 12.01 "(2R,3R,4R,5S)-2-azido-5-(hydroxymethyl)tetrahydrofuran-3,4-diol (non-preferred name)" AH8 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.0 "(2R,3R,4R,5S)-2-azido-5-(hydroxymethyl)oxolane-3,4-diol" # # 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 AH8 "CARBOHYDRATE ISOMER" L PDB ? AH8 "CARBOHYDRATE RING" furanose PDB ? AH8 "CARBOHYDRATE ANOMER" alpha PDB ? AH8 "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 AH8 "Create component" 2010-08-03 PDBJ AH8 "Modify descriptor" 2011-06-04 RCSB AH8 "Other modification" 2020-07-03 RCSB AH8 "Modify name" 2020-07-17 RCSB AH8 "Modify synonyms" 2020-07-17 RCSB AH8 "Modify internal type" 2020-07-17 RCSB AH8 "Modify linking type" 2020-07-17 RCSB AH8 "Modify atom id" 2020-07-17 RCSB AH8 "Modify component atom id" 2020-07-17 RCSB AH8 "Modify leaving atom flag" 2020-07-17 RCSB ##