data_LFC # _chem_comp.id LFC _chem_comp.name "6-deoxy-L-galactonic acid" _chem_comp.type L-saccharide _chem_comp.pdbx_type ATOMS _chem_comp.formula "C6 H12 O6" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2006-08-04 _chem_comp.pdbx_modified_date 2020-06-24 _chem_comp.pdbx_ambiguous_flag ? _chem_comp.pdbx_release_status REL _chem_comp.pdbx_replaced_by ? _chem_comp.pdbx_replaces ? _chem_comp.formula_weight 180.156 _chem_comp.one_letter_code ? _chem_comp.three_letter_code LFC _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 2HXU _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 LFC O1A O1A O 0 1 N N N -20.790 69.622 30.553 -4.094 -1.382 2.778 O1A LFC 1 LFC C1 C1 C 0 1 N N N -20.363 69.182 29.462 -3.539 -0.331 2.481 C1 LFC 2 LFC O1B O1B O 0 1 N N N -19.458 69.701 28.782 -3.713 0.816 3.184 O1B LFC 3 LFC C2 C2 C 0 1 N N S -21.008 67.882 28.918 -2.631 -0.149 1.279 C2 LFC 4 LFC O2 O2 O 0 1 N N N -22.229 67.599 29.601 -2.470 -1.417 0.656 O2 LFC 5 LFC C3 C3 C 0 1 N N R -21.291 67.972 27.407 -3.115 0.850 0.218 C3 LFC 6 LFC O3 O3 O 0 1 N N N -22.297 68.961 27.174 -4.428 0.517 -0.222 O3 LFC 7 LFC C4 C4 C 0 1 N N R -21.778 66.624 26.823 -2.196 1.072 -1.005 C4 LFC 8 LFC O4 O4 O 0 1 N N N -20.990 65.518 27.282 -0.904 1.417 -0.484 O4 LFC 9 LFC C5 C5 C 0 1 N N S -21.758 66.611 25.280 -2.608 2.145 -2.030 C5 LFC 10 LFC C6 C6 C 0 1 N N N -22.477 65.411 24.645 -1.555 2.333 -3.120 C6 LFC 11 LFC O5 O5 O 0 1 N N N -20.398 66.635 24.828 -2.809 3.398 -1.384 O5 LFC 12 LFC HO1B HO1B H 0 0 N N N -19.141 70.483 29.219 -4.318 0.744 3.952 HO1B LFC 13 LFC H2 H2 H 0 1 N N N -20.286 67.071 29.094 -1.649 0.157 1.661 H2 LFC 14 LFC HO2 HO2 H 0 1 N N N -22.063 67.536 30.534 -2.639 -1.287 -0.290 HO2 LFC 15 LFC H3 H3 H 0 1 N N N -20.348 68.241 26.909 -3.209 1.825 0.716 H3 LFC 16 LFC HO3 HO3 H 0 1 N N N -22.722 69.180 27.995 -4.463 0.721 -1.169 HO3 LFC 17 LFC H4 H4 H 0 1 N N N -22.813 66.517 27.180 -2.062 0.119 -1.529 H4 LFC 18 LFC HO4 HO4 H 0 1 N N N -20.816 64.930 26.556 -1.058 2.107 0.175 HO4 LFC 19 LFC H5 H5 H 0 1 N N N -22.312 67.506 24.959 -3.548 1.863 -2.511 H5 LFC 20 LFC H61 1H6 H 0 1 N N N -22.649 65.609 23.577 -1.481 1.430 -3.736 H61 LFC 21 LFC H62 2H6 H 0 1 N N N -21.855 64.511 24.755 -0.560 2.496 -2.692 H62 LFC 22 LFC H63 3H6 H 0 1 N N N -23.442 65.254 25.148 -1.804 3.176 -3.772 H63 LFC 23 LFC HO5 HO5 H 0 1 N N N -20.380 66.640 23.878 -3.481 3.871 -1.900 HO5 LFC 24 # # 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 LFC O1A C1 DOUB N N 1 LFC C1 O1B SING N N 2 LFC C1 C2 SING N N 3 LFC O1B HO1B SING N N 4 LFC C2 O2 SING N N 5 LFC C2 C3 SING N N 6 LFC C2 H2 SING N N 7 LFC O2 HO2 SING N N 8 LFC C3 O3 SING N N 9 LFC C3 C4 SING N N 10 LFC C3 H3 SING N N 11 LFC O3 HO3 SING N N 12 LFC C4 O4 SING N N 13 LFC C4 C5 SING N N 14 LFC C4 H4 SING N N 15 LFC O4 HO4 SING N N 16 LFC C5 C6 SING N N 17 LFC C5 O5 SING N N 18 LFC C5 H5 SING N N 19 LFC C6 H61 SING N N 20 LFC C6 H62 SING N N 21 LFC C6 H63 SING N N 22 LFC O5 HO5 SING N N 23 # # 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 LFC SMILES ACDLabs 10.04 "O=C(O)C(O)C(O)C(O)C(O)C" LFC SMILES_CANONICAL CACTVS 3.341 "C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(O)=O" LFC SMILES CACTVS 3.341 "C[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O" LFC SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C[C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O" LFC SMILES "OpenEye OEToolkits" 1.5.0 "CC(C(C(C(C(=O)O)O)O)O)O" LFC InChI InChI 1.03 "InChI=1S/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)/t2-,3+,4+,5-/m0/s1" LFC InChIKey InChI 1.03 NBFWIISVIFCMDK-RSJOWCBRSA-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 LFC "SYSTEMATIC NAME" ACDLabs 10.04 "6-deoxy-L-galactonic acid" LFC "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanoic 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 LFC "Create component" 2006-08-04 RCSB LFC "Modify descriptor" 2011-06-04 RCSB LFC "Modify linking type" 2020-06-24 RCSB ##