data_RNS
# 
_chem_comp.id                                    RNS 
_chem_comp.name                                  L-RHAMNOSE 
_chem_comp.type                                  L-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                     1999-11-19 
_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                     RNS 
_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        1DE6 
_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 
RNS C1  C1  C 0 1 N N N 28.102 11.523 26.809 0.320  0.410  -2.749 C1  RNS 1  
RNS C2  C2  C 0 1 N N R 27.852 10.008 27.184 -0.495 0.064  -1.530 C2  RNS 2  
RNS C3  C3  C 0 1 N N R 28.211 9.071  26.055 0.368  0.221  -0.277 C3  RNS 3  
RNS C4  C4  C 0 1 N N S 29.487 9.519  25.353 -0.460 -0.130 0.959  C4  RNS 4  
RNS C5  C5  C 0 1 N N S 30.142 8.408  24.588 0.403  0.026  2.212  C5  RNS 5  
RNS C6  C6  C 0 1 N N N 31.032 8.891  23.451 -0.424 -0.325 3.450  C6  RNS 6  
RNS O1  O1  O 0 1 N N N 28.526 12.372 27.606 0.494  -0.414 -3.614 O1  RNS 7  
RNS O2  O2  O 0 1 N N N 28.611 9.651  28.340 -1.621 0.941  -1.446 O2  RNS 8  
RNS O3  O3  O 0 1 N N N 28.369 7.775  26.642 1.493  -0.655 -0.362 O3  RNS 9  
RNS O4  O4  O 0 1 N N N 30.395 10.022 26.342 -0.915 -1.481 0.860  O4  RNS 10 
RNS O5  O5  O 0 1 N N N 29.140 7.392  24.215 0.858  1.377  2.312  O5  RNS 11 
RNS H11 H11 H 0 1 N N N 27.960 12.063 25.857 0.749  1.396  -2.850 H11 RNS 12 
RNS H2  H2  H 0 1 N N N 26.761 9.904  27.390 -0.842 -0.966 -1.606 H2  RNS 13 
RNS H3  H3  H 0 1 N N N 27.415 9.060  25.274 0.715  1.251  -0.202 H3  RNS 14 
RNS H4  H4  H 0 1 N N N 29.218 10.309 24.613 -1.318 0.538  1.024  H4  RNS 15 
RNS H5  H5  H 0 1 N N N 30.872 7.900  25.260 1.262  -0.642 2.148  H5  RNS 16 
RNS H61 1H6 H 0 1 N N N 31.519 8.064  22.882 0.190  -0.213 4.343  H61 RNS 17 
RNS H62 2H6 H 0 1 N N N 30.464 9.560  22.763 -1.283 0.343  3.514  H62 RNS 18 
RNS H63 3H6 H 0 1 N N N 31.794 9.612  23.827 -0.771 -1.355 3.374  H63 RNS 19 
RNS HO2 HO2 H 0 1 N N N 28.460 8.740  28.565 -1.270 1.839  -1.381 HO2 RNS 20 
RNS HO3 HO3 H 0 1 N N N 28.594 7.185  25.931 1.143  -1.554 -0.427 HO3 RNS 21 
RNS HO4 HO4 H 0 1 N N N 31.190 10.301 25.904 -0.126 -2.038 0.805  HO4 RNS 22 
RNS HO5 HO5 H 0 1 N N N 29.555 6.688  23.730 0.070  1.934  2.366  HO5 RNS 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 
RNS C1 C2  SING N N 1  
RNS C1 O1  DOUB N N 2  
RNS C1 H11 SING N N 3  
RNS C2 C3  SING N N 4  
RNS C2 O2  SING N N 5  
RNS C2 H2  SING N N 6  
RNS C3 C4  SING N N 7  
RNS C3 O3  SING N N 8  
RNS C3 H3  SING N N 9  
RNS C4 C5  SING N N 10 
RNS C4 O4  SING N N 11 
RNS C4 H4  SING N N 12 
RNS C5 C6  SING N N 13 
RNS C5 O5  SING N N 14 
RNS C5 H5  SING N N 15 
RNS C6 H61 SING N N 16 
RNS C6 H62 SING N N 17 
RNS C6 H63 SING N N 18 
RNS O2 HO2 SING N N 19 
RNS O3 HO3 SING N N 20 
RNS O4 HO4 SING N N 21 
RNS O5 HO5 SING N N 22 
# 
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 
RNS SMILES           ACDLabs              10.04 O=CC(O)C(O)C(O)C(O)C                                                       
RNS InChI            InChI                1.02b InChI=1/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4-,5-,6-/m0/s1 
RNS InChIKey         InChI                1.02b PNNNRSAQSRJVSB-BXKVDMCEBH                                                  
RNS SMILES_CANONICAL CACTVS               3.341 C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O                                     
RNS SMILES           CACTVS               3.341 C[CH](O)[CH](O)[CH](O)[CH](O)C=O                                           
RNS SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O                                     
RNS SMILES           "OpenEye OEToolkits" 1.5.0 CC(C(C(C(C=O)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 
RNS "SYSTEMATIC NAME" ACDLabs              10.04 6-deoxy-L-mannose                         
RNS "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 (2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal 
# 
