data_HDL
#

_chem_comp.id                                   HDL
_chem_comp.name                                 "D-arabinohydroxamic acid"
_chem_comp.type                                 D-SACCHARIDE
_chem_comp.pdbx_type                            ATOMS
_chem_comp.formula                              "C5 H9 N O7"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        D-arabinohydroxamate
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2009-05-26
_chem_comp.pdbx_modified_date                   2021-03-01
_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                       195.127
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    HDL
_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       3HK8
_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
HDL  O1A   O1A   O  0  1  N  N  N  13.965  -18.271  -37.272  -2.962  -0.423  -1.645  O1A   HDL   1  
HDL  C1    C1    C  0  1  N  N  N  14.320  -17.175  -37.781  -2.758  -0.265  -0.327  C1    HDL   2  
HDL  O1B   O1B   O  0  1  N  N  N  14.374  -16.937  -39.011  -3.467  -0.836   0.467  O1B   HDL   3  
HDL  C2    C2    C  0  1  N  N  S  14.718  -16.023  -36.841  -1.644   0.625   0.161  C2    HDL   4  
HDL  O2    O2    O  0  1  N  N  N  14.251  -16.312  -35.516  -1.703   0.723   1.586  O2    HDL   5  
HDL  C3    C3    C  0  1  N  N  R  16.264  -15.846  -36.867  -0.297   0.031  -0.255  C3    HDL   6  
HDL  O3    O3    O  0  1  N  N  N  16.926  -16.968  -36.284  -0.203  -1.314   0.221  O3    HDL   7  
HDL  C4    C4    C  0  1  N  N  S  16.796  -14.564  -36.132   0.836   0.865   0.347  C4    HDL   8  
HDL  O4    O4    O  0  1  N  N  N  18.091  -14.210  -36.610   0.741   2.210  -0.129  O4    HDL   9  
HDL  C5    C5    C  0  1  N  N  N  16.899  -14.712  -34.589   2.163   0.280  -0.063  C5    HDL  10  
HDL  O5    O5    O  0  1  N  N  N  17.969  -14.609  -33.988   2.911   0.914  -0.775  O5    HDL  11  
HDL  N6    N6    N  0  1  N  N  N  15.764  -14.960  -33.922   2.517  -0.949   0.363  N6    HDL  12  
HDL  O6    O6    O  0  1  N  N  N  14.803  -14.014  -33.745   3.764  -1.499  -0.022  O6    HDL  13  
HDL  HO1A  HO1A  H  0  0  N  N  N  13.746  -18.885  -37.963  -3.689  -1.003  -1.910  HO1A  HDL  14  
HDL  H2    H2    H  0  1  N  N  N  14.257  -15.082  -37.175  -1.754   1.618  -0.276  H2    HDL  15  
HDL  HO2   HO2   H  0  1  N  N  N  14.992  -16.376  -34.925  -1.612  -0.125   2.042  HO2   HDL  16  
HDL  H3    H3    H  0  1  N  N  N  16.493  -15.746  -37.938  -0.217   0.038  -1.342  H3    HDL  17  
HDL  HO3   HO3   H  0  1  N  N  N  17.073  -17.630  -36.949  -0.266  -1.396   1.182  HO3   HDL  18  
HDL  H4    H4    H  0  1  N  N  N  16.050  -13.787  -36.355   0.755   0.858   1.434  H4    HDL  19  
HDL  HO4   HO4   H  0  1  N  N  N  18.069  -14.131  -37.556   0.805   2.292  -1.090  HO4   HDL  20  
HDL  H8    H8    H  0  1  N  N  N  15.618  -15.873  -33.541   1.918  -1.456   0.933  H8    HDL  21  
HDL  H9    H9    H  0  1  N  N  N  14.741  -13.793  -32.823   3.929  -2.384   0.332  H9    HDL  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
HDL  O1A  HO1A  SING  N  N   1  
HDL  C1   O1A   SING  N  N   2  
HDL  C1   C2    SING  N  N   3  
HDL  O1B  C1    DOUB  N  N   4  
HDL  C2   O2    SING  N  N   5  
HDL  C2   H2    SING  N  N   6  
HDL  O2   HO2   SING  N  N   7  
HDL  C3   C2    SING  N  N   8  
HDL  C3   O3    SING  N  N   9  
HDL  C3   C4    SING  N  N  10  
HDL  C3   H3    SING  N  N  11  
HDL  O3   HO3   SING  N  N  12  
HDL  C4   C5    SING  N  N  13  
HDL  C4   H4    SING  N  N  14  
HDL  O4   C4    SING  N  N  15  
HDL  O4   HO4   SING  N  N  16  
HDL  C5   O5    DOUB  N  N  17  
HDL  C5   N6    SING  N  N  18  
HDL  N6   O6    SING  N  N  19  
HDL  N6   H8    SING  N  N  20  
HDL  O6   H9    SING  N  N  21  
#   #
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
HDL  SMILES            ACDLabs               10.04  "O=C(NO)C(O)C(O)C(O)C(=O)O"  
HDL  SMILES_CANONICAL  CACTVS                3.341  "ONC(=O)[C@@H](O)[C@@H](O)[C@H](O)C(O)=O"  
HDL  SMILES            CACTVS                3.341  "ONC(=O)[CH](O)[CH](O)[CH](O)C(O)=O"  
HDL  SMILES_CANONICAL  "OpenEye OEToolkits"  1.5.0  "[C@@H]([C@@H](C(=O)NO)O)([C@@H](C(=O)O)O)O"  
HDL  SMILES            "OpenEye OEToolkits"  1.5.0  "C(C(C(=O)NO)O)(C(C(=O)O)O)O"  
HDL  InChI             InChI                 1.03   "InChI=1S/C5H9NO7/c7-1(3(9)5(11)12)2(8)4(10)6-13/h1-3,7-9,13H,(H,6,10)(H,11,12)/t1-,2+,3+/m1/s1"  
HDL  InChIKey          InChI                 1.03   DMGBHBFPSRKPBV-LAMMAJBHSA-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
HDL  "SYSTEMATIC NAME"  ACDLabs               10.04  "1-(hydroxyamino)-D-lyxuronic acid"  
HDL  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  1.5.0  "(2S,3R,4S)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxo-pentanoic acid"  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
HDL  "Create component"   2009-05-26  RCSB  
HDL  "Modify descriptor"  2011-06-04  RCSB  
HDL  "Modify synonyms"    2021-03-01  PDBE  
#
_pdbx_chem_comp_synonyms.ordinal     1
_pdbx_chem_comp_synonyms.comp_id     HDL
_pdbx_chem_comp_synonyms.name        D-arabinohydroxamate
_pdbx_chem_comp_synonyms.provenance  ?
_pdbx_chem_comp_synonyms.type        ?
##
