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                    2008-10-14 
_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 InChI            InChI                1.02b InChI=1/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)/f/h8-9H 
FOM InChIKey         InChI                1.02b GJXWDTUCERCKIX-DEPUQRHOCX                                                  
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                                                      
# 
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" 
# 
