data_FCB
# 
_chem_comp.id                                    FCB 
_chem_comp.name                                  BETA-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                     FCB 
_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 
FCB C1  C1  C 0 1 N N R 14.092 56.350 55.196 1.246  0.218  -0.708 C1  FCB 1  
FCB C2  C2  C 0 1 N N R 12.678 56.767 54.877 -0.142 -0.179 -1.213 C2  FCB 2  
FCB C3  C3  C 0 1 N N S 12.196 56.135 53.772 -1.204 0.530  -0.366 C3  FCB 3  
FCB C4  C4  C 0 1 N N R 13.050 56.357 52.472 -0.935 0.225  1.111  C4  FCB 4  
FCB C5  C5  C 0 1 N N R 14.470 55.847 52.830 0.512  0.594  1.441  C5  FCB 5  
FCB C6  C6  C 0 1 N N N 15.540 56.149 51.803 0.780  0.326  2.923  C6  FCB 6  
FCB O1  O1  O 0 1 N Y N 14.625 57.176 56.216 2.243  -0.414 -1.513 O1  FCB 7  
FCB O2  O2  O 0 1 N N N 11.863 56.407 56.045 -0.282 0.208  -2.582 O2  FCB 8  
FCB O3  O3  O 0 1 N N N 10.759 56.537 53.390 -2.502 0.056  -0.728 O3  FCB 9  
FCB O4  O4  O 0 1 N N N 13.127 57.772 52.176 -1.146 -1.166 1.358  O4  FCB 10 
FCB O5  O5  O 0 1 N N N 14.913 56.486 54.037 1.402  -0.190 0.649  O5  FCB 11 
FCB H1  H1  H 0 1 N N N 14.076 55.287 55.534 1.360  1.300  -0.776 H1  FCB 12 
FCB H2  H2  H 0 1 N N N 12.646 57.860 54.661 -0.266 -1.258 -1.125 H2  FCB 13 
FCB H3  H3  H 0 1 N N N 12.239 55.069 54.096 -1.147 1.606  -0.535 H3  FCB 14 
FCB H4  H4  H 0 1 N N N 12.611 55.833 51.590 -1.610 0.813  1.733  H4  FCB 15 
FCB H5  H5  H 0 1 N N N 14.356 54.740 52.908 0.675  1.651  1.228  H5  FCB 16 
FCB H61 1H6 H 0 1 N N N 16.561 55.782 52.060 1.811  0.591  3.159  H61 FCB 17 
FCB H62 2H6 H 0 1 N N N 15.233 55.761 50.803 0.103  0.927  3.529  H62 FCB 18 
FCB H63 3H6 H 0 1 N N N 15.567 57.242 51.587 0.619  -0.730 3.136  H63 FCB 19 
FCB HO1 HO1 H 0 1 N N N 15.515 56.913 56.416 3.101  -0.135 -1.166 HO1 FCB 20 
FCB HO2 HO2 H 0 1 N N N 10.972 56.669 55.844 0.408  -0.255 -3.075 HO2 FCB 21 
FCB HO3 HO3 H 0 1 N N N 10.422 56.095 52.618 -2.622 0.257  -1.667 HO3 FCB 22 
FCB HO4 HO4 H 0 1 N N N 13.643 57.906 51.390 -0.967 -1.313 2.296  HO4 FCB 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 
FCB C1 C2  SING N N 1  
FCB C1 O1  SING N N 2  
FCB C1 O5  SING N N 3  
FCB C1 H1  SING N N 4  
FCB C2 C3  SING N N 5  
FCB C2 O2  SING N N 6  
FCB C2 H2  SING N N 7  
FCB C3 C4  SING N N 8  
FCB C3 O3  SING N N 9  
FCB C3 H3  SING N N 10 
FCB C4 C5  SING N N 11 
FCB C4 O4  SING N N 12 
FCB C4 H4  SING N N 13 
FCB C5 C6  SING N N 14 
FCB C5 O5  SING N N 15 
FCB C5 H5  SING N N 16 
FCB C6 H61 SING N N 17 
FCB C6 H62 SING N N 18 
FCB C6 H63 SING N N 19 
FCB O1 HO1 SING N N 20 
FCB O2 HO2 SING N N 21 
FCB O3 HO3 SING N N 22 
FCB 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 
FCB SMILES           ACDLabs              10.04 OC1C(O)C(OC(O)C1O)C                                                         
FCB 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 
FCB InChIKey         InChI                1.02b SHZGCJCMOBCMKK-FPRJBGLDBJ                                                   
FCB SMILES_CANONICAL CACTVS               3.341 C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O                                   
FCB SMILES           CACTVS               3.341 C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O                                          
FCB SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O                               
FCB 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 
FCB "SYSTEMATIC NAME" ACDLabs              10.04 6-deoxy-beta-D-galactopyranose                
FCB "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 (2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol 
# 
