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 ##