data_RAO
# 
_chem_comp.id                                    RAO 
_chem_comp.name                                  1-O-METHYL-ALPHA-RHAMNOSE 
_chem_comp.type                                  SACCHARIDE 
_chem_comp.pdbx_type                             ATOMS 
_chem_comp.formula                               "C7 H14 O5" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2002-12-11 
_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                        178.183 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     RAO 
_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        1M7I 
_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 
RAO C1   C1   C 0 1 N N R -6.261  13.755 34.446 -0.996 -0.265 1.096  C1   RAO 1  
RAO O1   O1   O 0 1 N N N -5.752  12.674 33.641 -0.779 1.037  1.642  O1   RAO 2  
RAO C7   C7   C 0 1 N N N -5.121  11.637 34.391 -0.298 0.852  2.974  C7   RAO 3  
RAO O2   O2   O 0 1 N N N -7.511  15.900 34.266 -1.708 -1.437 -0.896 O2   RAO 4  
RAO C2   C2   C 0 1 N N R -7.190  14.656 33.605 -1.518 -0.136 -0.336 C2   RAO 5  
RAO C3   C3   C 0 1 N N R -8.480  13.911 33.255 -0.496 0.637  -1.173 C3   RAO 6  
RAO O3   O3   O 0 1 N N N -9.391  14.810 32.636 -0.896 0.637  -2.545 O3   RAO 7  
RAO C4   C4   C 0 1 N N R -9.135  13.300 34.509 0.868  -0.047 -1.036 C4   RAO 8  
RAO O4   O4   O 0 1 N N N -10.239 12.486 34.133 1.867  0.739  -1.688 O4   RAO 9  
RAO C5   C5   C 0 1 N N S -8.116  12.475 35.326 1.211  -0.182 0.448  C5   RAO 10 
RAO O5   O5   O 0 1 N N N -6.952  13.282 35.620 0.231  -0.990 1.099  O5   RAO 11 
RAO C6   C6   C 0 1 N N N -8.708  11.921 36.620 2.587  -0.835 0.594  C6   RAO 12 
RAO HC1  HC1  H 0 1 N N N -5.385  14.350 34.794 -1.730 -0.794 1.703  HC1  RAO 13 
RAO HC71 1HC7 H 0 0 N N N -4.727  10.800 33.768 -0.118 1.824  3.434  HC71 RAO 14 
RAO HC72 2HC7 H 0 0 N N N -4.314  12.056 35.036 -1.041 0.308  3.557  HC72 RAO 15 
RAO HC73 3HC7 H 0 0 N N N -5.809  11.248 35.177 0.631  0.284  2.950  HC73 RAO 16 
RAO HO2  HO2  H 0 1 N N N -8.082  16.454 33.748 -2.357 -1.889 -0.339 HO2  RAO 17 
RAO HC2  HC2  H 0 1 N N N -6.632  14.908 32.673 -2.466 0.400  -0.330 HC2  RAO 18 
RAO HC3  HC3  H 0 1 N N N -8.223  13.080 32.557 -0.428 1.663  -0.812 HC3  RAO 19 
RAO HO3  HO3  H 0 1 N N N -10.191 14.347 32.418 -1.757 1.076  -2.585 HO3  RAO 20 
RAO HC4  HC4  H 0 1 N N N -9.497  14.134 35.154 0.827  -1.036 -1.493 HC4  RAO 21 
RAO HO4  HO4  H 0 1 N N N -10.642 12.109 34.906 2.708  0.276  -1.571 HO4  RAO 22 
RAO HC5  HC5  H 0 1 N N N -7.824  11.599 34.699 1.228  0.805  0.908  HC5  RAO 23 
RAO HC61 1HC6 H 0 0 N N N -7.972  11.325 37.209 2.835  -0.927 1.651  HC61 RAO 24 
RAO HC62 2HC6 H 0 0 N N N -9.150  12.736 37.238 2.570  -1.824 0.137  HC62 RAO 25 
RAO HC63 3HC6 H 0 0 N N N -9.630  11.328 36.416 3.336  -0.218 0.097  HC63 RAO 26 
# 
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 
RAO C1 O1   SING N N 1  
RAO C1 C2   SING N N 2  
RAO C1 O5   SING N N 3  
RAO C1 HC1  SING N N 4  
RAO O1 C7   SING N N 5  
RAO C7 HC71 SING N N 6  
RAO C7 HC72 SING N N 7  
RAO C7 HC73 SING N N 8  
RAO O2 C2   SING N N 9  
RAO O2 HO2  SING N N 10 
RAO C2 C3   SING N N 11 
RAO C2 HC2  SING N N 12 
RAO C3 O3   SING N N 13 
RAO C3 C4   SING N N 14 
RAO C3 HC3  SING N N 15 
RAO O3 HO3  SING N N 16 
RAO C4 O4   SING N N 17 
RAO C4 C5   SING N N 18 
RAO C4 HC4  SING N N 19 
RAO O4 HO4  SING N N 20 
RAO C5 O5   SING N N 21 
RAO C5 C6   SING N N 22 
RAO C5 HC5  SING N N 23 
RAO C6 HC61 SING N N 24 
RAO C6 HC62 SING N N 25 
RAO C6 HC63 SING N N 26 
# 
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 
RAO SMILES           ACDLabs              10.04 OC1C(O)C(O)C(OC1OC)C                                                             
RAO InChI            InChI                1.02b InChI=1/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4-,5+,6+,7+/m0/s1 
RAO InChIKey         InChI                1.02b OHWCAVRRXKJCRB-PAMBMQIZBT                                                        
RAO SMILES_CANONICAL CACTVS               3.341 CO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O                                      
RAO SMILES           CACTVS               3.341 CO[CH]1O[CH](C)[CH](O)[CH](O)[CH]1O                                              
RAO SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC)O)O)O                                     
RAO SMILES           "OpenEye OEToolkits" 1.5.0 CC1C(C(C(C(O1)OC)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 
RAO "SYSTEMATIC NAME" ACDLabs              10.04 "methyl 6-deoxy-alpha-L-mannopyranoside"              
RAO "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 (2R,3R,4R,5R,6S)-2-methoxy-6-methyl-oxane-3,4,5-triol 
# 
