data_ELT
# 
_chem_comp.id                                    ELT 
_chem_comp.name                                  "ethoxy-~{N},~{N}-dimethyl-phosphonamidic acid" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C4 H12 N O3 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2018-03-28 
_chem_comp.pdbx_modified_date                    2018-08-24 
_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                        153.117 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     ELT 
_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        6G4O 
_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 
ELT P01 P1  P 0 1 N N N -1.518 -1.857 -4.262 -0.313 -0.514 0.086  P01 ELT 1  
ELT O02 O1  O 0 1 N N N -1.887 -1.183 -5.536 -0.331 -1.570 -0.951 O02 ELT 2  
ELT N03 N1  N 0 1 N N N -1.338 -0.860 -2.996 -1.139 0.839  -0.478 N03 ELT 3  
ELT C04 C1  C 0 1 N N N -0.573 0.322  -3.140 -2.540 0.513  -0.779 C04 ELT 4  
ELT C05 C2  C 0 1 N N N -1.162 -1.531 -1.672 -1.051 1.948  0.482  C05 ELT 5  
ELT O06 O2  O 0 1 N N N -0.241 -2.836 -4.447 1.211  -0.113 0.417  O06 ELT 6  
ELT C07 C3  C 0 1 N N N 0.666  -2.550 -5.526 2.193  0.118  -0.596 C07 ELT 7  
ELT C08 C4  C 0 1 N N N 2.173  -2.614 -5.178 3.491  0.601  0.053  C08 ELT 8  
ELT O1  O3  O 0 1 N Y N -2.688 -2.761 -3.617 -1.026 -1.060 1.422  O1  ELT 9  
ELT H1  H1  H 0 1 N N N -0.561 0.870  -2.186 -3.041 0.187  0.133  H1  ELT 10 
ELT H2  H2  H 0 1 N N N 0.456  0.060  -3.425 -3.042 1.397  -1.173 H2  ELT 11 
ELT H3  H3  H 0 1 N N N -1.020 0.955  -3.921 -2.576 -0.286 -1.519 H3  ELT 12 
ELT H4  H4  H 0 1 N N N -1.049 -0.769 -0.886 -0.005 2.215  0.633  H4  ELT 13 
ELT H5  H5  H 0 1 N N N -2.043 -2.153 -1.456 -1.594 2.809  0.093  H5  ELT 14 
ELT H6  H6  H 0 1 N N N -0.264 -2.165 -1.699 -1.489 1.642  1.432  H6  ELT 15 
ELT H7  H7  H 0 1 N N N 0.447  -1.535 -5.890 2.380  -0.809 -1.138 H7  ELT 16 
ELT H8  H8  H 0 1 N N N 0.474  -3.277 -6.329 1.828  0.877  -1.289 H8  ELT 17 
ELT H9  H9  H 0 1 N N N 2.767  -2.379 -6.074 3.303  1.528  0.594  H9  ELT 18 
ELT H10 H10 H 0 1 N N N 2.398  -1.883 -4.387 3.855  -0.157 0.745  H10 ELT 19 
ELT H11 H11 H 0 1 N N N 2.425  -3.625 -4.826 4.240  0.777  -0.720 H11 ELT 20 
ELT H12 H12 H 0 1 N N N -3.460 -2.722 -4.170 -1.050 -0.419 2.145  H12 ELT 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 
ELT O02 P01 DOUB N N 1  
ELT C07 C08 SING N N 2  
ELT C07 O06 SING N N 3  
ELT O06 P01 SING N N 4  
ELT P01 N03 SING N N 5  
ELT C04 N03 SING N N 6  
ELT N03 C05 SING N N 7  
ELT P01 O1  SING N N 8  
ELT C04 H1  SING N N 9  
ELT C04 H2  SING N N 10 
ELT C04 H3  SING N N 11 
ELT C05 H4  SING N N 12 
ELT C05 H5  SING N N 13 
ELT C05 H6  SING N N 14 
ELT C07 H7  SING N N 15 
ELT C07 H8  SING N N 16 
ELT C08 H9  SING N N 17 
ELT C08 H10 SING N N 18 
ELT C08 H11 SING N N 19 
ELT O1  H12 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 
ELT InChI            InChI                1.03  "InChI=1S/C4H12NO3P/c1-4-8-9(6,7)5(2)3/h4H2,1-3H3,(H,6,7)" 
ELT InChIKey         InChI                1.03  ZAMDBRIEKCKJBM-UHFFFAOYSA-N                                
ELT SMILES_CANONICAL CACTVS               3.385 "CCO[P](O)(=O)N(C)C"                                       
ELT SMILES           CACTVS               3.385 "CCO[P](O)(=O)N(C)C"                                       
ELT SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "CCOP(=O)(N(C)C)O"                                         
ELT SMILES           "OpenEye OEToolkits" 2.0.6 "CCOP(=O)(N(C)C)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 
ELT "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.6 "ethoxy-~{N},~{N}-dimethyl-phosphonamidic 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 
ELT "Create component" 2018-03-28 RCSB 
ELT "Initial release"  2018-08-29 RCSB 
#