data_LAH
#

_chem_comp.id                                   LAH
_chem_comp.name                                 "2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-L-arabinopyranose"
_chem_comp.type                                 "L-saccharide, alpha linking"
_chem_comp.pdbx_type                            ATOMS
_chem_comp.formula                              "C8 H17 O8 P"
_chem_comp.mon_nstd_parent_comp_id              ARA
_chem_comp.pdbx_synonyms                        
;2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-L-arabinose;
2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-L-arabinose; 2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-arabinose
;

_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2014-03-11
_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                       272.190
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    LAH
_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       4OUY
_chem_comp.pdbx_subcomponent_list               ?
_chem_comp.pdbx_processing_site                 PDBJ
#   #
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  LAH  "2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-L-arabinose"  PDB  ?  
2  LAH  "2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-L-arabinose"        PDB  ?  
3  LAH  "2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-arabinose"          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
LAH  CAA  CAA  C  0  1  N  N  N  -13.367  -26.237  21.803   4.644   1.474   0.565  CAA  LAH   1  
LAH  CAL  CAL  C  0  1  N  N  N  -14.851  -26.002  22.071   4.026   0.185   0.018  CAL  LAH   2  
LAH  CAB  CAB  C  0  1  N  N  N  -15.214  -25.737  23.499   4.906  -1.005   0.404  CAB  LAH   3  
LAH  OAJ  OAJ  O  0  1  N  N  N  -15.686  -26.910  21.432   2.720   0.011   0.571  OAJ  LAH   4  
LAH  PAQ  PAQ  P  0  1  N  N  N  -16.686  -26.464  20.310   1.389  -0.071  -0.332  PAQ  LAH   5  
LAH  OAG  OAG  O  0  1  N  N  N  -17.867  -27.402  20.319   1.305   1.128  -1.196  OAG  LAH   6  
LAH  OAC  OAC  O  0  1  N  N  N  -17.149  -25.069  20.576   1.445  -1.391  -1.252  OAC  LAH   7  
LAH  O2   OAK  O  0  1  N  N  N  -15.997  -26.442  18.885   0.095  -0.136   0.623  O2   LAH   8  
LAH  C2   CBO  C  0  1  N  N  R  -15.842  -27.588  18.016  -1.243  -0.111   0.124  C2   LAH   9  
LAH  C3   CBM  C  0  1  N  N  S  -14.451  -27.927  17.861  -1.982   1.101   0.700  C3   LAH  10  
LAH  O3   O14  O  0  1  N  N  N  -13.870  -28.396  19.145  -1.352   2.303   0.251  O3   LAH  11  
LAH  C4   CBL  C  0  1  N  N  S  -14.144  -28.861  16.842  -3.436   1.074   0.220  C4   LAH  12  
LAH  O4   O10  O  0  1  N  N  N  -14.530  -30.194  17.221  -3.471   1.194  -1.204  O4   LAH  13  
LAH  C5   CBN  C  0  1  N  N  N  -14.834  -28.557  15.528  -4.079  -0.251   0.638  C5   LAH  14  
LAH  O5   OAX  O  0  1  N  N  N  -16.202  -28.233  15.710  -3.326  -1.337   0.094  O5   LAH  15  
LAH  C1   C8   C  0  1  N  N  R  -16.439  -27.234  16.673  -1.970  -1.391   0.544  C1   LAH  16  
LAH  O1   OAH  O  0  1  N  Y  N  -17.792  -27.033  16.771  -1.321  -2.523  -0.037  O1   LAH  17  
LAH  H1A  H1   H  0  1  N  N  N  -12.773  -25.483  22.340   5.640   1.607   0.143  H1A  LAH  18  
LAH  H2A  H2   H  0  1  N  N  N  -13.086  -27.241  22.152   4.017   2.322   0.290  H2A  LAH  19  
LAH  H3A  H3   H  0  1  N  N  N  -13.172  -26.157  20.723   4.714   1.411   1.651  H3A  LAH  20  
LAH  H4A  H4   H  0  1  N  N  N  -15.050  -25.042  21.572   3.956   0.249  -1.068  H4A  LAH  21  
LAH  H5   H5   H  0  1  N  N  N  -14.508  -25.012  23.929   4.466  -1.923   0.014  H5   LAH  22  
LAH  H6   H6   H  0  1  N  N  N  -16.234  -25.328  23.548   5.902  -0.873  -0.018  H6   LAH  23  
LAH  H7   H7   H  0  1  N  N  N  -15.167  -26.676  24.069   4.976  -1.069   1.490  H7   LAH  24  
LAH  H8   H8   H  0  1  N  N  N  -18.091  -25.065  20.695   1.502  -2.217  -0.751  H8   LAH  25  
LAH  H2   H9   H  0  1  N  N  N  -16.390  -28.446  18.433  -1.225  -0.043  -0.964  H2   LAH  26  
LAH  H3   H10  H  0  1  N  N  N  -13.925  -26.994  17.610  -1.955   1.060   1.789  H3   LAH  27  
LAH  HO3  H11  H  0  1  N  Y  N  -14.074  -27.772  19.832  -1.769   3.111   0.579  HO3  LAH  28  
LAH  H4   H12  H  0  1  N  N  N  -13.059  -28.847  16.660  -3.983   1.903   0.669  H4   LAH  29  
LAH  HO4  H13  H  0  1  N  Y  N  -14.115  -30.422  18.045  -4.363   1.185  -1.577  HO4  LAH  30  
LAH  H51  H14  H  0  1  N  N  N  -14.762  -29.440  14.876  -4.088  -0.323   1.725  H51  LAH  31  
LAH  H52  H15  H  0  1  N  N  N  -14.328  -27.706  15.050  -5.102  -0.294   0.262  H52  LAH  32  
LAH  H1   H16  H  0  1  N  N  N  -15.960  -26.302  16.338  -1.951  -1.479   1.630  H1   LAH  33  
LAH  HO1  H17  H  0  1  N  Y  N  -17.967  -26.360  17.419  -1.730  -3.370   0.188  HO1  LAH  34  
#   #
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
LAH  C5   O5   SING  N  N   1  
LAH  C5   C4   SING  N  N   2  
LAH  O5   C1   SING  N  N   3  
LAH  C1   O1   SING  N  N   4  
LAH  C1   C2   SING  N  N   5  
LAH  C4   O4   SING  N  N   6  
LAH  C4   C3   SING  N  N   7  
LAH  C3   C2   SING  N  N   8  
LAH  C3   O3   SING  N  N   9  
LAH  C2   O2   SING  N  N  10  
LAH  O2   PAQ  SING  N  N  11  
LAH  PAQ  OAG  DOUB  N  N  12  
LAH  PAQ  OAC  SING  N  N  13  
LAH  PAQ  OAJ  SING  N  N  14  
LAH  OAJ  CAL  SING  N  N  15  
LAH  CAA  CAL  SING  N  N  16  
LAH  CAL  CAB  SING  N  N  17  
LAH  CAA  H1A  SING  N  N  18  
LAH  CAA  H2A  SING  N  N  19  
LAH  CAA  H3A  SING  N  N  20  
LAH  CAL  H4A  SING  N  N  21  
LAH  CAB  H5   SING  N  N  22  
LAH  CAB  H6   SING  N  N  23  
LAH  CAB  H7   SING  N  N  24  
LAH  OAC  H8   SING  N  N  25  
LAH  C2   H2   SING  N  N  26  
LAH  C3   H3   SING  N  N  27  
LAH  O3   HO3  SING  N  N  28  
LAH  C4   H4   SING  N  N  29  
LAH  O4   HO4  SING  N  N  30  
LAH  C5   H51  SING  N  N  31  
LAH  C5   H52  SING  N  N  32  
LAH  C1   H1   SING  N  N  33  
LAH  O1   HO1  SING  N  N  34  
#   #
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
LAH  SMILES            ACDLabs               12.01  "O=P(OC1C(O)C(O)COC1O)(OC(C)C)O"  
LAH  InChI             InChI                 1.03   "InChI=1S/C8H17O8P/c1-4(2)15-17(12,13)16-7-6(10)5(9)3-14-8(7)11/h4-11H,3H2,1-2H3,(H,12,13)/t5-,6-,7+,8+/m0/s1"  
LAH  InChIKey          InChI                 1.03   PYOXTDKMFCLRNS-RULNZFCNSA-N  
LAH  SMILES_CANONICAL  CACTVS                3.385  "CC(C)O[P](O)(=O)O[C@H]1[C@H](O)OC[C@H](O)[C@@H]1O"  
LAH  SMILES            CACTVS                3.385  "CC(C)O[P](O)(=O)O[CH]1[CH](O)OC[CH](O)[CH]1O"  
LAH  SMILES_CANONICAL  "OpenEye OEToolkits"  1.7.6  "CC(C)OP(=O)(O)O[C@@H]1[C@H]([C@H](CO[C@H]1O)O)O"  
LAH  SMILES            "OpenEye OEToolkits"  1.7.6  "CC(C)OP(=O)(O)OC1C(C(COC1O)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
LAH  "SYSTEMATIC NAME"  ACDLabs               12.01  "2-O-[(R)-hydroxy(propan-2-yloxy)phosphoryl]-alpha-L-arabinopyranose"  
LAH  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  1.7.6  "propan-2-yl [(2R,3R,4S,5S)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate"  
#
_pdbx_chem_comp_related.comp_id            LAH
_pdbx_chem_comp_related.related_comp_id    ARA
_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  LAH  C1   ARA  C1   "Carbohydrate core"  
 2  LAH  C4   ARA  C4   "Carbohydrate core"  
 3  LAH  C3   ARA  C3   "Carbohydrate core"  
 4  LAH  C5   ARA  C5   "Carbohydrate core"  
 5  LAH  C2   ARA  C2   "Carbohydrate core"  
 6  LAH  O4   ARA  O4   "Carbohydrate core"  
 7  LAH  O3   ARA  O3   "Carbohydrate core"  
 8  LAH  O1   ARA  O1   "Carbohydrate core"  
 9  LAH  O2   ARA  O2   "Carbohydrate core"  
10  LAH  O5   ARA  O5   "Carbohydrate core"  
11  LAH  H3   ARA  H3   "Carbohydrate core"  
12  LAH  HO3  ARA  HO3  "Carbohydrate core"  
13  LAH  H4   ARA  H4   "Carbohydrate core"  
14  LAH  HO4  ARA  HO4  "Carbohydrate core"  
15  LAH  H51  ARA  H51  "Carbohydrate core"  
16  LAH  H52  ARA  H52  "Carbohydrate core"  
17  LAH  H1   ARA  H1   "Carbohydrate core"  
18  LAH  HO1  ARA  HO1  "Carbohydrate core"  
19  LAH  H2   ARA  H2   "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
LAH  "CARBOHYDRATE ISOMER"                  L         PDB  ?  
LAH  "CARBOHYDRATE RING"                    pyranose  PDB  ?  
LAH  "CARBOHYDRATE ANOMER"                  alpha     PDB  ?  
LAH  "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
LAH  "Create component"          2014-03-11  PDBJ  
LAH  "Initial release"           2015-08-19  RCSB  
LAH  "Other modification"        2020-07-03  RCSB  
LAH  "Modify parent residue"     2020-07-17  RCSB  
LAH  "Modify synonyms"           2020-07-17  RCSB  
LAH  "Modify internal type"      2020-07-17  RCSB  
LAH  "Modify linking type"       2020-07-17  RCSB  
LAH  "Modify atom id"            2020-07-17  RCSB  
LAH  "Modify component atom id"  2020-07-17  RCSB  
LAH  "Modify leaving atom flag"  2020-07-17  RCSB  
##
