data_MAF # _chem_comp.id MAF _chem_comp.name 2-deoxy-2-fluoro-alpha-D-mannopyranose _chem_comp.type "D-saccharide, alpha linking" _chem_comp.pdbx_type ATOMS _chem_comp.formula "C6 H11 F O5" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "2-DEOXY-2-FLUORO-ALPHA-D-MANNOSE; 2-deoxy-2-fluoro-D-mannose; 2-deoxy-2-fluoro-mannose" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2002-02-28 _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 182.147 _chem_comp.one_letter_code ? _chem_comp.three_letter_code MAF _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 ? _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 MAF 2-DEOXY-2-FLUORO-ALPHA-D-MANNOSE PDB ? 2 MAF 2-deoxy-2-fluoro-D-mannose PDB ? 3 MAF 2-deoxy-2-fluoro-mannose 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 MAF C1 C1 C 0 1 N N S 79.364 35.249 -7.066 -1.687 -0.170 -0.303 C1 MAF 1 MAF C2 C2 C 0 1 N N S 80.500 36.069 -6.449 -0.867 0.066 -1.573 C2 MAF 2 MAF F2 F2 F 0 1 N N N 81.530 35.609 -7.252 -0.798 1.439 -1.836 F2 MAF 3 MAF C3 C3 C 0 1 N N S 80.579 37.576 -6.731 0.545 -0.489 -1.366 C3 MAF 4 MAF O3 O3 O 0 1 N N N 81.658 37.766 -7.654 1.365 -0.144 -2.485 O3 MAF 5 MAF C4 C4 C 0 1 N N S 79.362 38.271 -7.372 1.130 0.122 -0.088 C4 MAF 6 MAF O4 O4 O 0 1 N N N 78.960 39.433 -6.690 2.387 -0.491 0.203 O4 MAF 7 MAF C5 C5 C 0 1 N N R 78.158 37.347 -7.299 0.160 -0.120 1.069 C5 MAF 8 MAF O5 O5 O 0 1 N N N 78.541 36.096 -7.846 -1.087 0.514 0.794 O5 MAF 9 MAF C6 C6 C 0 1 N N N 77.003 37.867 -8.152 0.751 0.455 2.357 C6 MAF 10 MAF O6 O6 O 0 1 N N N 77.404 37.887 -9.513 -0.152 0.226 3.440 O6 MAF 11 MAF O1 O1L O 0 1 N Y N 78.524 34.450 -6.194 -1.731 -1.571 -0.022 O1 MAF 12 MAF H1 H1 H 0 1 N N N 78.783 34.688 -6.297 -2.701 0.200 -0.451 H1 MAF 13 MAF H2 H2 H 0 1 N N N 80.661 35.829 -5.372 -1.340 -0.442 -2.413 H2 MAF 14 MAF H3 H3 H 0 1 N N N 80.828 38.102 -5.780 0.501 -1.573 -1.266 H3 MAF 15 MAF HO3 HA H 0 1 N Y N 81.707 38.699 -7.828 0.952 -0.538 -3.266 HO3 MAF 16 MAF H4 H4 H 0 1 N N N 79.585 38.516 -8.436 1.271 1.194 -0.229 H4 MAF 17 MAF HO4 HB H 0 1 N Y N 78.210 39.861 -7.085 2.964 -0.320 -0.553 HO4 MAF 18 MAF H5 H5 H 0 1 N N N 77.831 37.222 -6.240 0.002 -1.192 1.191 H5 MAF 19 MAF H61 H6C1 H 0 1 N N N 76.632 38.860 -7.804 0.909 1.527 2.237 H61 MAF 20 MAF H62 H6C2 H 0 1 N N N 76.065 37.286 -7.995 1.703 -0.030 2.569 H62 MAF 21 MAF HO6 H6 H 0 1 N N N 76.686 38.210 -10.044 0.256 0.604 4.231 HO6 MAF 22 MAF HO1 H1L H 0 1 N Y N 77.819 33.941 -6.576 -2.259 -1.679 0.780 HO1 MAF 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 MAF C1 C2 SING N N 1 MAF C1 O5 SING N N 2 MAF C1 O1 SING N N 3 MAF C1 H1 SING N N 4 MAF C2 F2 SING N N 5 MAF C2 C3 SING N N 6 MAF C2 H2 SING N N 7 MAF C3 O3 SING N N 8 MAF C3 C4 SING N N 9 MAF C3 H3 SING N N 10 MAF O3 HO3 SING N N 11 MAF C4 O4 SING N N 12 MAF C4 C5 SING N N 13 MAF C4 H4 SING N N 14 MAF O4 HO4 SING N N 15 MAF C5 O5 SING N N 16 MAF C5 C6 SING N N 17 MAF C5 H5 SING N N 18 MAF C6 O6 SING N N 19 MAF C6 H61 SING N N 20 MAF C6 H62 SING N N 21 MAF O6 HO6 SING N N 22 MAF O1 HO1 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 MAF SMILES ACDLabs 10.04 "FC1C(O)C(O)C(OC1O)CO" MAF SMILES_CANONICAL CACTVS 3.341 "OC[C@H]1O[C@H](O)[C@@H](F)[C@@H](O)[C@@H]1O" MAF SMILES CACTVS 3.341 "OC[CH]1O[CH](O)[CH](F)[CH](O)[CH]1O" MAF SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)F)O)O)O" MAF SMILES "OpenEye OEToolkits" 1.5.0 "C(C1C(C(C(C(O1)O)F)O)O)O" MAF InChI InChI 1.03 "InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3+,4-,5-,6-/m1/s1" MAF InChIKey InChI 1.03 ZCXUVYAZINUVJD-AIECOIEWSA-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 MAF "SYSTEMATIC NAME" ACDLabs 10.04 2-deoxy-2-fluoro-alpha-D-mannopyranose MAF "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2S,3S,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,4,5-triol" MAF "IUPAC CARBOHYDRATE SYMBOL" PDB-CARE 1.0 a-D-Manp2fluoro # # 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 MAF "CARBOHYDRATE ISOMER" D PDB ? MAF "CARBOHYDRATE RING" pyranose PDB ? MAF "CARBOHYDRATE ANOMER" alpha PDB ? MAF "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 MAF "Create component" 2002-02-28 EBI MAF "Modify descriptor" 2011-06-04 RCSB MAF "Other modification" 2020-07-03 RCSB MAF "Modify name" 2020-07-17 RCSB MAF "Modify synonyms" 2020-07-17 RCSB MAF "Modify internal type" 2020-07-17 RCSB MAF "Modify linking type" 2020-07-17 RCSB MAF "Modify atom id" 2020-07-17 RCSB MAF "Modify component atom id" 2020-07-17 RCSB MAF "Modify leaving atom flag" 2020-07-17 RCSB ##