data_Z5J
#

_chem_comp.id                                   Z5J
_chem_comp.name                                 beta-L-Olivopyranose
_chem_comp.type                                 "L-saccharide, beta linking"
_chem_comp.pdbx_type                            ATOMS
_chem_comp.formula                              "C6 H12 O4"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        
;beta-L-Olivose; 2,6-dideoxy-beta-L-arabino-hexopyranose; 2,6-dideoxy-beta-L-glucopyranose;
2,6-dideoxy-beta-L-mannopyranose; 2-deoxy-beta-L-quinovopyranose; 2-deoxy-beta-L-rhamnoopyranose; L-Olivose; Olivose
;

_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2012-12-18
_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                       148.157
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    Z5J
_chem_comp.pdbx_model_coordinates_details       ?
_chem_comp.pdbx_model_coordinates_missing_flag  N
_chem_comp.pdbx_ideal_coordinates_details       Corina
_chem_comp.pdbx_ideal_coordinates_missing_flag  N
_chem_comp.pdbx_model_coordinates_db_code       1Q0Z
_chem_comp.pdbx_subcomponent_list               ?
_chem_comp.pdbx_processing_site                 RCSB
#   #
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  Z5J  beta-L-Olivose                             PDB  ?  
2  Z5J  "2,6-dideoxy-beta-L-arabino-hexopyranose"  PDB  ?  
3  Z5J  "2,6-dideoxy-beta-L-glucopyranose"         PDB  ?  
4  Z5J  "2,6-dideoxy-beta-L-mannopyranose"         PDB  ?  
5  Z5J  2-deoxy-beta-L-quinovopyranose             PDB  ?  
6  Z5J  2-deoxy-beta-L-rhamnoopyranose             PDB  ?  
7  Z5J  L-Olivose                                  PDB  ?  
8  Z5J  Olivose                                    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
Z5J  O4   O1   O  0  1  N  N  N  19.478   8.593  14.223   2.478  -0.322   0.242  O4   Z5J   1  
Z5J  C4   C1   C  0  1  N  N  R  18.969   9.089  12.953   1.142  -0.140  -0.229  C4   Z5J   2  
Z5J  C5   C2   C  0  1  N  N  S  18.075   8.023  12.243   0.257  -1.277   0.289  C5   Z5J   3  
Z5J  C6   C3   C  0  1  N  N  N  18.854   6.835  11.662   0.760  -2.609  -0.268  C6   Z5J   4  
Z5J  O5   O2   O  0  1  N  N  N  17.324   8.803  11.298  -1.091  -1.061  -0.135  O5   Z5J   5  
Z5J  C3   C4   C  0  1  N  N  S  18.179  10.383  13.322   0.596   1.196   0.284  C3   Z5J   6  
Z5J  O3   O3   O  0  1  N  N  N  19.019  11.528  13.529   1.372   2.268  -0.254  O3   Z5J   7  
Z5J  C2   C5   C  0  1  N  N  N  17.232  10.849  12.236  -0.862   1.345  -0.162  C2   Z5J   8  
Z5J  C1   C6   C  0  1  N  N  S  16.589   9.648  11.583  -1.670   0.151   0.354  C1   Z5J   9  
Z5J  O1   O4   O  0  1  N  Y  N  15.210   9.594  11.186  -3.019   0.254  -0.106  O1   Z5J  10  
Z5J  HO1  H4O  H  0  1  N  Y  N  14.758  10.366  11.505  -3.589  -0.472   0.183  HO1  Z5J  11  
Z5J  H4   H11  H  0  1  N  N  N  19.801   9.357  12.286   1.136  -0.142  -1.319  H4   Z5J  12  
Z5J  H5   H21  H  0  1  N  N  N  17.383   7.625  13.000   0.296  -1.300   1.378  H5   Z5J  13  
Z5J  H61  H31  H  0  1  N  N  N  18.153   6.136  11.183   1.788  -2.773   0.055  H61  Z5J  14  
Z5J  H62  H32  H  0  1  N  N  N  19.576   7.199  10.916   0.130  -3.419   0.101  H62  Z5J  15  
Z5J  H63  H33  H  0  1  N  N  N  19.392   6.318  12.471   0.721  -2.586  -1.357  H63  Z5J  16  
Z5J  H3   H41  H  0  1  N  N  N  17.597  10.180  14.233   0.649   1.218   1.373  H3   Z5J  17  
Z5J  HO3  H3O  H  0  1  N  Y  N  18.482  12.280  13.749   1.081   3.146   0.030  HO3  Z5J  18  
Z5J  H21  H51  H  0  1  N  N  N  16.453  11.488  12.677  -1.276   2.267   0.246  H21  Z5J  19  
Z5J  H22  H52  H  0  1  N  N  N  17.792  11.421  11.482  -0.909   1.373  -1.250  H22  Z5J  20  
Z5J  H1   H61  H  0  1  N  N  N  16.366   9.191  12.558  -1.656   0.146   1.444  H1   Z5J  21  
Z5J  HO4  H1O  H  0  1  N  Y  N  20.017   9.261  14.631   3.095   0.363  -0.049  HO4  Z5J  22  
#   #
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
Z5J  O4   C4   SING  N  N   1  
Z5J  C4   C5   SING  N  N   2  
Z5J  C4   C3   SING  N  N   3  
Z5J  C4   H4   SING  N  N   4  
Z5J  C5   C6   SING  N  N   5  
Z5J  C5   O5   SING  N  N   6  
Z5J  C5   H5   SING  N  N   7  
Z5J  C6   H61  SING  N  N   8  
Z5J  C6   H62  SING  N  N   9  
Z5J  C6   H63  SING  N  N  10  
Z5J  O5   C1   SING  N  N  11  
Z5J  C3   O3   SING  N  N  12  
Z5J  C3   C2   SING  N  N  13  
Z5J  C3   H3   SING  N  N  14  
Z5J  O3   HO3  SING  N  N  15  
Z5J  C2   C1   SING  N  N  16  
Z5J  C2   H21  SING  N  N  17  
Z5J  C2   H22  SING  N  N  18  
Z5J  C1   O1   SING  N  N  19  
Z5J  C1   H1   SING  N  N  20  
Z5J  HO1  O1   SING  N  N  21  
Z5J  O4   HO4  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
Z5J  SMILES            ACDLabs               12.01  "OC1C(OC(O)CC1O)C"  
Z5J  InChI             InChI                 1.03   "InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6-/m0/s1"  
Z5J  InChIKey          InChI                 1.03   FDWRIIDFYSUTDP-BXKVDMCESA-N  
Z5J  SMILES_CANONICAL  CACTVS                3.370  "C[C@@H]1O[C@H](O)C[C@H](O)[C@H]1O"  
Z5J  SMILES            CACTVS                3.370  "C[CH]1O[CH](O)C[CH](O)[CH]1O"  
Z5J  SMILES_CANONICAL  "OpenEye OEToolkits"  1.7.6  "C[C@H]1[C@@H]([C@H](CC(O1)O)O)O"  
Z5J  SMILES            "OpenEye OEToolkits"  1.7.6  "CC1C(C(CC(O1)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
Z5J  "SYSTEMATIC NAME"                      ACDLabs               12.01  "2,6-dideoxy-beta-L-arabino-hexopyranose"  
Z5J  "SYSTEMATIC NAME"                      "OpenEye OEToolkits"  1.7.6  "(4S,5R,6S)-6-methyloxane-2,4,5-triol"  
Z5J  "CONDENSED IUPAC CARBOHYDRATE SYMBOL"  GMML                  1.0    LOlib  
Z5J  "COMMON NAME"                          GMML                  1.0    b-L-Olivopyranose  
Z5J  "SNFG CARBOHYDRATE SYMBOL"             GMML                  1.0    Oli  
Z5J  "IUPAC CARBOHYDRATE SYMBOL"            PDB-CARE              1.0    "b-L-2,6-deoxy-Glcp"  
#   #
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
Z5J  "CARBOHYDRATE ISOMER"                  L         PDB  ?  
Z5J  "CARBOHYDRATE RING"                    pyranose  PDB  ?  
Z5J  "CARBOHYDRATE ANOMER"                  beta      PDB  ?  
Z5J  "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
Z5J  "Create component"          2012-12-18  RCSB  
Z5J  "Other modification"        2019-08-12  RCSB  
Z5J  "Other modification"        2019-12-19  RCSB  
Z5J  "Other modification"        2020-06-03  RCSB  
Z5J  "Other modification"        2020-06-10  RCSB  
Z5J  "Other modification"        2020-07-03  RCSB  
Z5J  "Modify atom id"            2020-07-17  RCSB  
Z5J  "Modify component atom id"  2020-07-17  RCSB  
Z5J  "Initial release"           2020-07-29  RCSB  
##
