data_FOM # _chem_comp.id FOM _chem_comp.name "3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C4 H10 N O5 P" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms FOSMIDOMYCIN _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2003-03-05 _chem_comp.pdbx_modified_date 2020-06-17 _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 183.100 _chem_comp.one_letter_code ? _chem_comp.three_letter_code FOM _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 1ONP _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 FOM O2 O2 O 0 1 N N N 6.490 -5.746 34.837 1.324 0.630 3.276 O2 FOM 1 FOM N1 N1 N 0 1 N N N 6.775 -4.581 35.316 0.311 -0.198 2.735 N1 FOM 2 FOM C1 C1 C 0 1 N N N 6.038 -3.513 34.967 -0.884 -0.287 3.349 C1 FOM 3 FOM O1 O1 O 0 1 N N N 5.096 -3.433 34.241 -1.093 0.341 4.364 O1 FOM 4 FOM C2 C2 C 0 1 N N N 7.916 -4.461 36.243 0.564 -0.957 1.508 C2 FOM 5 FOM C3 C3 C 0 1 N N N 7.960 -5.574 37.317 0.166 -0.114 0.295 C3 FOM 6 FOM C4 C4 C 0 1 N N N 9.387 -5.811 37.846 0.430 -0.908 -0.985 C4 FOM 7 FOM PA1 PA1 P 0 1 N N N 10.357 -6.977 36.911 -0.044 0.096 -2.431 PA1 FOM 8 FOM OP1 OP1 O 0 1 N N N 9.491 -8.310 36.732 0.753 1.342 -2.449 OP1 FOM 9 FOM OP2 OP2 O 0 1 N N N 10.477 -6.419 35.424 0.233 -0.738 -3.779 OP2 FOM 10 FOM OP3 OP3 O 0 1 N N N 11.822 -7.314 37.422 -1.609 0.463 -2.339 OP3 FOM 11 FOM HO2 HO2 H 0 1 N N N 7.011 -6.501 35.083 0.958 1.035 4.074 HO2 FOM 12 FOM H1 H1 H 0 1 N N N 6.247 -2.501 35.353 -1.657 -0.919 2.936 H1 FOM 13 FOM H21 1H2 H 0 1 N N N 8.877 -4.417 35.680 1.624 -1.205 1.446 H21 FOM 14 FOM H22 2H2 H 0 1 N N N 7.933 -3.452 36.719 -0.023 -1.875 1.521 H22 FOM 15 FOM H31 1H3 H 0 1 N N N 7.250 -5.360 38.150 -0.893 0.133 0.357 H31 FOM 16 FOM H32 2H3 H 0 1 N N N 7.507 -6.519 36.937 0.754 0.803 0.282 H32 FOM 17 FOM H41 1H4 H 0 1 N N N 9.930 -4.841 37.932 1.489 -1.156 -1.047 H41 FOM 18 FOM H42 2H4 H 0 1 N N N 9.353 -6.112 38.919 -0.157 -1.825 -0.972 H42 FOM 19 FOM HP2 HP2 H 0 1 N N N 10.994 -7.040 34.925 -0.030 -0.172 -4.518 HP2 FOM 20 FOM HP3 HP3 H 0 1 N N N 12.339 -7.935 36.923 -2.092 -0.374 -2.330 HP3 FOM 21 # # 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 FOM O2 N1 SING N N 1 FOM O2 HO2 SING N N 2 FOM N1 C1 SING N N 3 FOM N1 C2 SING N N 4 FOM C1 O1 DOUB N N 5 FOM C1 H1 SING N N 6 FOM C2 C3 SING N N 7 FOM C2 H21 SING N N 8 FOM C2 H22 SING N N 9 FOM C3 C4 SING N N 10 FOM C3 H31 SING N N 11 FOM C3 H32 SING N N 12 FOM C4 PA1 SING N N 13 FOM C4 H41 SING N N 14 FOM C4 H42 SING N N 15 FOM PA1 OP1 DOUB N N 16 FOM PA1 OP2 SING N N 17 FOM PA1 OP3 SING N N 18 FOM OP2 HP2 SING N N 19 FOM OP3 HP3 SING N N 20 # # 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 FOM SMILES ACDLabs 10.04 "O=P(O)(O)CCCN(O)C=O" FOM SMILES_CANONICAL CACTVS 3.341 "ON(CCC[P](O)(O)=O)C=O" FOM SMILES CACTVS 3.341 "ON(CCC[P](O)(O)=O)C=O" FOM SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C(CN(C=O)O)CP(=O)(O)O" FOM SMILES "OpenEye OEToolkits" 1.5.0 "C(CN(C=O)O)CP(=O)(O)O" FOM InChI InChI 1.03 "InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)" FOM InChIKey InChI 1.03 GJXWDTUCERCKIX-UHFFFAOYSA-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 FOM "SYSTEMATIC NAME" ACDLabs 10.04 "{3-[formyl(hydroxy)amino]propyl}phosphonic acid" FOM "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "3-(hydroxy-methanoyl-amino)propylphosphonic 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 FOM "Create component" 2003-03-05 RCSB FOM "Modify descriptor" 2011-06-04 RCSB FOM "Modify synonyms" 2020-06-05 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id FOM _pdbx_chem_comp_synonyms.name FOSMIDOMYCIN _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##