data_FCA
# 
_chem_comp.id                                    FCA 
_chem_comp.name                                  ALPHA-D-FUCOSE 
_chem_comp.type                                  D-SACCHARIDE 
_chem_comp.pdbx_type                             ATOMS 
_chem_comp.formula                               "C6 H12 O5" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-07-08 
_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                        164.156 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     FCA 
_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        1ABF 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
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 
FCA C1  C1  C 0 1 N N S 14.220 56.953 55.173 1.410  -0.468 -0.410 C1  FCA 1  
FCA C2  C2  C 0 1 N N R 12.784 57.219 54.807 0.120  -0.513 -1.233 C2  FCA 2  
FCA C3  C3  C 0 1 N N S 12.273 56.271 53.780 -0.831 0.576  -0.728 C3  FCA 3  
FCA C4  C4  C 0 1 N N R 13.122 56.443 52.526 -1.016 0.402  0.783  C4  FCA 4  
FCA C5  C5  C 0 1 N N R 14.603 56.178 52.877 0.359  0.379  1.454  C5  FCA 5  
FCA C6  C6  C 0 1 N N N 15.606 56.429 51.764 0.185  0.241  2.967  C6  FCA 6  
FCA O1  O1  O 0 1 N Y N 14.403 55.718 55.733 2.007  0.823  -0.535 O1  FCA 7  
FCA O2  O2  O 0 1 N N N 11.952 57.262 56.060 0.424  -0.284 -2.610 O2  FCA 8  
FCA O3  O3  O 0 1 N N N 10.870 56.530 53.492 -2.094 0.452  -1.385 O3  FCA 9  
FCA O4  O4  O 0 1 N N N 12.972 57.772 51.989 -1.700 -0.824 1.044  O4  FCA 10 
FCA O5  O5  O 0 1 N N N 15.019 57.054 53.912 1.116  -0.724 0.961  O5  FCA 11 
FCA H1  H1  H 0 1 N N N 14.543 57.697 55.937 2.101  -1.225 -0.780 H1  FCA 12 
FCA H2  H2  H 0 1 N N N 12.710 58.217 54.316 -0.350 -1.489 -1.121 H2  FCA 13 
FCA H3  H3  H 0 1 N N N 12.344 55.222 54.153 -0.406 1.558  -0.935 H3  FCA 14 
FCA H4  H4  H 0 1 N N N 12.782 55.715 51.752 -1.598 1.235  1.178  H4  FCA 15 
FCA H5  H5  H 0 1 N N N 14.608 55.094 53.138 0.886  1.307  1.232  H5  FCA 16 
FCA H61 1H6 H 0 1 N N N 16.674 56.237 52.017 1.164  0.226  3.446  H61 FCA 17 
FCA H62 2H6 H 0 1 N N N 15.321 55.843 50.858 -0.391 1.085  3.345  H62 FCA 18 
FCA H63 3H6 H 0 1 N N N 15.489 57.467 51.376 -0.341 -0.686 3.190  H63 FCA 19 
FCA HO1 HO1 H 0 1 N N N 15.309 55.550 55.963 2.818  0.808  -0.008 HO1 FCA 20 
FCA HO2 HO2 H 0 1 N N N 11.045 57.429 55.829 1.029  -0.986 -2.884 HO2 FCA 21 
FCA HO3 HO3 H 0 1 N N N 10.543 55.924 52.836 -1.928 0.555  -2.332 HO3 FCA 22 
FCA HO4 HO4 H 0 1 N N N 13.501 57.879 51.207 -1.794 -0.893 2.004  HO4 FCA 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 
FCA C1 C2  SING N N 1  
FCA C1 O1  SING N N 2  
FCA C1 O5  SING N N 3  
FCA C1 H1  SING N N 4  
FCA C2 C3  SING N N 5  
FCA C2 O2  SING N N 6  
FCA C2 H2  SING N N 7  
FCA C3 C4  SING N N 8  
FCA C3 O3  SING N N 9  
FCA C3 H3  SING N N 10 
FCA C4 C5  SING N N 11 
FCA C4 O4  SING N N 12 
FCA C4 H4  SING N N 13 
FCA C5 C6  SING N N 14 
FCA C5 O5  SING N N 15 
FCA C5 H5  SING N N 16 
FCA C6 H61 SING N N 17 
FCA C6 H62 SING N N 18 
FCA C6 H63 SING N N 19 
FCA O1 HO1 SING N N 20 
FCA O2 HO2 SING N N 21 
FCA O3 HO3 SING N N 22 
FCA O4 HO4 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 
FCA SMILES           ACDLabs              10.04 OC1C(O)C(OC(O)C1O)C                                                         
FCA InChI            InChI                1.02b InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m1/s1 
FCA InChIKey         InChI                1.02b SHZGCJCMOBCMKK-PHYPRBDBBP                                                   
FCA SMILES_CANONICAL CACTVS               3.341 C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O                                    
FCA SMILES           CACTVS               3.341 C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O                                          
FCA SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O                                
FCA SMILES           "OpenEye OEToolkits" 1.5.0 CC1C(C(C(C(O1)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 
FCA "SYSTEMATIC NAME" ACDLabs              10.04 6-deoxy-alpha-D-galactopyranose               
FCA "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 (2S,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol 
# 
