data_MAF
# 
_chem_comp.id                                    MAF 
_chem_comp.name                                  2-DEOXY-2-FLUORO-ALPHA-D-MANNOSE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C6 H11 F O5" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2002-02-28 
_chem_comp.pdbx_modified_date                    2008-10-14 
_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_
_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 O1L  O1L  O 0 1 N Y N 78.524 34.450 -6.194  -1.731 -1.571 -0.022 O1L  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 HA   HA   H 0 1 N N N 81.707 38.699 -7.828  0.952  -0.538 -3.266 HA   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 HB   HB   H 0 1 N N N 78.210 39.861 -7.085  2.964  -0.320 -0.553 HB   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 H6C1 1H6C H 0 0 N N N 76.632 38.860 -7.804  0.909  1.527  2.237  H6C1 MAF 20 
MAF H6C2 2H6C H 0 0 N N N 76.065 37.286 -7.995  1.703  -0.030 2.569  H6C2 MAF 21 
MAF H6   H6   H 0 1 N N N 76.686 38.210 -10.044 0.256  0.604  4.231  H6   MAF 22 
MAF H1L  H1L  H 0 1 N N N 77.819 33.941 -6.576  -2.259 -1.679 0.780  H1L  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  O1L  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  HA   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  HB   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  H6C1 SING N N 20 
MAF C6  H6C2 SING N N 21 
MAF O6  H6   SING N N 22 
MAF O1L H1L  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 InChI            InChI                1.02b InChI=1/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                1.02b ZCXUVYAZINUVJD-AIECOIEWBM                                                           
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                                                            
# 
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 
# 
