data_RHA
#

_chem_comp.id                                   RHA
_chem_comp.name                                 6-deoxy-1-O-phosphono-alpha-L-rhamnopyranose
_chem_comp.type                                 L-saccharide
_chem_comp.pdbx_type                            ATOMS
_chem_comp.formula                              "C6 H13 O8 P"
_chem_comp.mon_nstd_parent_comp_id              RAM
_chem_comp.pdbx_synonyms                        
;6-DEOXY-MANNOSE-1'-PHOSPHATE; 6-deoxy-1-O-phosphono-alpha-L-mannopyranose; 6-deoxy-1-O-phosphono-alpha-L-rhamnose;
6-deoxy-1-O-phosphono-L-rhamnose; 6-deoxy-1-O-phosphono-rhamnose
;

_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    1999-07-08
_chem_comp.pdbx_modified_date                   2020-07-17
_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                       244.136
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    RHA
_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       1TLP
_chem_comp.pdbx_subcomponent_list               ?
_chem_comp.pdbx_processing_site                 EBI
#   #
loop_
_pdbx_chem_comp_synonyms.ordinal
_pdbx_chem_comp_synonyms.comp_id
_pdbx_chem_comp_synonyms.name
_pdbx_chem_comp_synonyms.provenance
_pdbx_chem_comp_synonyms.type
1  RHA  "6-DEOXY-MANNOSE-1'-PHOSPHATE"                 PDB  ?  
2  RHA  6-deoxy-1-O-phosphono-alpha-L-mannopyranose    PDB  ?  
3  RHA  6-deoxy-1-O-phosphono-alpha-L-rhamnose         PDB  ?  
4  RHA  6-deoxy-1-O-phosphono-L-rhamnose               PDB  ?  
5  RHA  6-deoxy-1-O-phosphono-rhamnose                 PDB  ?  
#   #
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
RHA  C1    C1    C  0  1  N  N  S  51.183  16.914   -8.254  -0.573  -0.578   0.188  C1    RHA   1  
RHA  O1    O1    O  0  1  N  N  N  50.920  18.137   -7.643  -0.221   0.621   0.879  O1    RHA   2  
RHA  C2    C2    C  0  1  N  N  R  50.171  16.113   -7.502  -1.502  -0.237  -0.979  C2    RHA   3  
RHA  O2    O2    O  0  1  N  N  N  49.976  14.742   -8.034  -1.834  -1.431  -1.691  O2    RHA   4  
RHA  C3    C3    C  0  1  N  N  R  48.865  16.750   -7.787  -0.786   0.739  -1.918  C3    RHA   5  
RHA  O3    O3    O  0  1  N  N  N  48.022  16.009   -6.924  -1.581   0.951  -3.087  O3    RHA   6  
RHA  C4    C4    C  0  1  N  N  R  48.610  16.502   -9.263   0.565   0.134  -2.315  C4    RHA   7  
RHA  O4    O4    O  0  1  N  N  N  47.268  16.717   -9.593   1.313   1.089  -3.070  O4    RHA   8  
RHA  C5    C5    C  0  1  N  N  S  49.572  17.376  -10.084   1.338  -0.232  -1.046  C5    RHA   9  
RHA  O5    O5    O  0  1  N  N  N  50.917  16.967   -9.678   0.608  -1.207  -0.303  O5    RHA  10  
RHA  C6    C6    C  0  1  N  N  N  49.360  17.397  -11.604   2.704  -0.804  -1.431  C6    RHA  11  
RHA  P     P     P  0  1  N  N  N  51.715  18.902   -6.596   0.016   0.218   2.419  P     RHA  12  
RHA  O1P   O1P   O  0  1  N  N  N  53.231  19.053   -6.870   1.108  -0.777   2.505  O1P   RHA  13  
RHA  O2P   O2P   O  0  1  N  N  N  51.194  20.234   -6.325   0.419   1.530   3.261  O2P   RHA  14  
RHA  O3P   O3P   O  0  1  N  N  N  51.667  18.103   -5.418  -1.334  -0.414   3.024  O3P   RHA  15  
RHA  H1    H1    H  0  1  N  N  N  52.231  16.535   -8.214  -1.085  -1.254   0.873  H1    RHA  16  
RHA  H2    H2    H  0  1  N  N  N  50.509  16.070   -6.440  -2.413   0.224  -0.598  H2    RHA  17  
RHA  HO2   HO2   H  0  1  N  Y  N  49.332  14.232   -7.555  -2.275  -2.018  -1.062  HO2   RHA  18  
RHA  H3    H3    H  0  1  N  N  N  48.748  17.846   -7.620  -0.627   1.688  -1.407  H3    RHA  19  
RHA  HO3   HO3   H  0  1  N  Y  N  47.184  16.417   -7.106  -2.424   1.319  -2.788  HO3   RHA  20  
RHA  H4    H4    H  0  1  N  N  N  48.810  15.432   -9.507   0.402  -0.759  -2.916  H4    RHA  21  
RHA  HO4   HO4   H  0  1  N  Y  N  47.108  16.561  -10.516   2.153   0.669  -3.298  HO4   RHA  22  
RHA  H5    H5    H  0  1  N  N  N  49.372  18.448   -9.854   1.478   0.659  -0.435  H5    RHA  23  
RHA  H61   H61   H  0  1  N  N  N  50.057  18.030  -12.199   3.256  -1.064  -0.528  H61   RHA  24  
RHA  H62   H62   H  0  1  N  N  N  49.375  16.353  -11.997   2.566  -1.696  -2.041  H62   RHA  25  
RHA  H63   H63   H  0  1  N  N  N  48.307  17.686  -11.830   3.263  -0.060  -1.997  H63   RHA  26  
RHA  HOP2  HOP2  H  0  0  N  N  N  51.690  20.711   -5.671   0.552   1.245   4.176  HOP2  RHA  27  
RHA  HOP3  HOP3  H  0  0  N  N  N  52.163  18.580   -4.764  -2.018   0.264   2.949  HOP3  RHA  28  
#   #
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
RHA  C1   O1    SING  N  N   1  
RHA  C1   C2    SING  N  N   2  
RHA  C1   O5    SING  N  N   3  
RHA  C1   H1    SING  N  N   4  
RHA  O1   P     SING  N  N   5  
RHA  C2   O2    SING  N  N   6  
RHA  C2   C3    SING  N  N   7  
RHA  C2   H2    SING  N  N   8  
RHA  O2   HO2   SING  N  N   9  
RHA  C3   O3    SING  N  N  10  
RHA  C3   C4    SING  N  N  11  
RHA  C3   H3    SING  N  N  12  
RHA  O3   HO3   SING  N  N  13  
RHA  C4   O4    SING  N  N  14  
RHA  C4   C5    SING  N  N  15  
RHA  C4   H4    SING  N  N  16  
RHA  O4   HO4   SING  N  N  17  
RHA  C5   O5    SING  N  N  18  
RHA  C5   C6    SING  N  N  19  
RHA  C5   H5    SING  N  N  20  
RHA  C6   H61   SING  N  N  21  
RHA  C6   H62   SING  N  N  22  
RHA  C6   H63   SING  N  N  23  
RHA  P    O1P   DOUB  N  N  24  
RHA  P    O2P   SING  N  N  25  
RHA  P    O3P   SING  N  N  26  
RHA  O2P  HOP2  SING  N  N  27  
RHA  O3P  HOP3  SING  N  N  28  
#   #
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
RHA  SMILES            ACDLabs               10.04  "O=P(OC1OC(C(O)C(O)C1O)C)(O)O"  
RHA  SMILES_CANONICAL  CACTVS                3.341  "C[C@@H]1O[C@@H](O[P](O)(O)=O)[C@H](O)[C@H](O)[C@H]1O"  
RHA  SMILES            CACTVS                3.341  "C[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O"  
RHA  SMILES_CANONICAL  "OpenEye OEToolkits"  1.5.0  "C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O"  
RHA  SMILES            "OpenEye OEToolkits"  1.5.0  "CC1C(C(C(C(O1)OP(=O)(O)O)O)O)O"  
RHA  InChI             InChI                 1.03   "InChI=1S/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/t2-,3-,4+,5+,6-/m0/s1"  
RHA  InChIKey          InChI                 1.03   PTVXQARCLQPGIR-YJRYQGEOSA-N  
#   #
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
RHA  "SYSTEMATIC NAME"            ACDLabs               10.04  6-deoxy-1-O-phosphono-alpha-L-mannopyranose  
RHA  "SYSTEMATIC NAME"            "OpenEye OEToolkits"  1.5.0  "[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl] dihydrogen phosphate"  
RHA  "IUPAC CARBOHYDRATE SYMBOL"  PDB-CARE              1.0    a-L-Rhap1PO3  
#
_pdbx_chem_comp_related.comp_id            RHA
_pdbx_chem_comp_related.related_comp_id    RAM
_pdbx_chem_comp_related.relationship_type  "Carbohydrate core"
_pdbx_chem_comp_related.details            ?
#   #
loop_
_pdbx_chem_comp_atom_related.ordinal
_pdbx_chem_comp_atom_related.comp_id
_pdbx_chem_comp_atom_related.atom_id
_pdbx_chem_comp_atom_related.related_comp_id
_pdbx_chem_comp_atom_related.related_atom_id
_pdbx_chem_comp_atom_related.related_type
 1  RHA  C1   RAM  C1   "Carbohydrate core"  
 2  RHA  C2   RAM  C2   "Carbohydrate core"  
 3  RHA  C3   RAM  C3   "Carbohydrate core"  
 4  RHA  C4   RAM  C4   "Carbohydrate core"  
 5  RHA  C5   RAM  C5   "Carbohydrate core"  
 6  RHA  C6   RAM  C6   "Carbohydrate core"  
 7  RHA  O1   RAM  O1   "Carbohydrate core"  
 8  RHA  O2   RAM  O2   "Carbohydrate core"  
 9  RHA  O3   RAM  O3   "Carbohydrate core"  
10  RHA  O4   RAM  O4   "Carbohydrate core"  
11  RHA  O5   RAM  O5   "Carbohydrate core"  
12  RHA  H1   RAM  H1   "Carbohydrate core"  
13  RHA  H2   RAM  H2   "Carbohydrate core"  
14  RHA  H3   RAM  H3   "Carbohydrate core"  
15  RHA  H4   RAM  H4   "Carbohydrate core"  
16  RHA  H5   RAM  H5   "Carbohydrate core"  
17  RHA  H61  RAM  H61  "Carbohydrate core"  
18  RHA  H62  RAM  H62  "Carbohydrate core"  
19  RHA  H63  RAM  H63  "Carbohydrate core"  
20  RHA  HO2  RAM  HO2  "Carbohydrate core"  
21  RHA  HO3  RAM  HO3  "Carbohydrate core"  
22  RHA  HO4  RAM  HO4  "Carbohydrate core"  
#   #
loop_
_pdbx_chem_comp_feature.comp_id
_pdbx_chem_comp_feature.type
_pdbx_chem_comp_feature.value
_pdbx_chem_comp_feature.source
_pdbx_chem_comp_feature.support
RHA  "CARBOHYDRATE ISOMER"                  L         PDB  ?  
RHA  "CARBOHYDRATE RING"                    pyranose  PDB  ?  
RHA  "CARBOHYDRATE ANOMER"                  alpha     PDB  ?  
RHA  "CARBOHYDRATE PRIMARY CARBONYL GROUP"  aldose    PDB  ?  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
RHA  "Create component"          1999-07-08  EBI   
RHA  "Modify descriptor"         2011-06-04  RCSB  
RHA  "Other modification"        2020-07-03  RCSB  
RHA  "Modify parent residue"     2020-07-17  RCSB  
RHA  "Modify name"               2020-07-17  RCSB  
RHA  "Modify synonyms"           2020-07-17  RCSB  
RHA  "Modify linking type"       2020-07-17  RCSB  
RHA  "Modify leaving atom flag"  2020-07-17  RCSB  
##
