data_TEN
# 
_chem_comp.id                                    TEN 
_chem_comp.name                                  "TRIETHYL PHOSPHATE" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C6 H15 O4 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2000-06-13 
_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                        182.155 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     TEN 
_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        1EYW 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBJ 
# 
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 
TEN P1  P1  P 0 1 N N N 49.023 37.059 23.022 0.473  0.206  0.000  P1  TEN 1  
TEN O1  O1  O 0 1 N N N 49.244 36.110 24.138 1.424  1.339  0.000  O1  TEN 2  
TEN O2  O2  O 0 1 N N N 50.172 38.140 22.972 0.709  -0.692 1.314  O2  TEN 3  
TEN C1  C1  C 0 1 N N N 49.625 39.456 22.935 0.486  0.156  2.441  C1  TEN 4  
TEN C2  C2  C 0 1 N N N 50.560 40.529 23.510 0.695  -0.640 3.730  C2  TEN 5  
TEN O3  O3  O 0 1 N N N 47.636 37.802 23.178 0.709  -0.692 -1.314 O3  TEN 6  
TEN C3  C3  C 0 1 N N N 46.814 37.013 24.017 0.486  0.156  -2.441 C3  TEN 7  
TEN C4  C4  C 0 1 N N N 45.355 37.437 24.056 0.695  -0.640 -3.730 C4  TEN 8  
TEN O4  O4  O 0 1 N N N 48.981 36.312 21.624 -1.034 0.771  0.000  O4  TEN 9  
TEN C5  C5  C 0 1 N N N 48.024 36.984 20.810 -1.901 -0.365 0.000  C5  TEN 10 
TEN C6  C6  C 0 1 N N N 47.093 36.119 19.943 -3.357 0.104  0.000  C6  TEN 11 
TEN H11 H11 H 0 1 N N N 49.310 39.722 21.899 -0.534 0.538  2.412  H11 TEN 12 
TEN H12 H12 H 0 1 N N N 48.633 39.484 23.444 1.187  0.990  2.412  H12 TEN 13 
TEN H21 H21 H 0 1 N N N 50.132 41.558 23.481 0.525  0.007  4.590  H21 TEN 14 
TEN H22 H22 H 0 1 N N N 50.874 40.262 24.546 -0.005 -1.474 3.760  H22 TEN 15 
TEN H23 H23 H 0 1 N N N 51.551 40.500 23.000 1.716  -1.022 3.760  H23 TEN 16 
TEN H31 H31 H 0 1 N N N 46.896 35.936 23.738 -0.534 0.538  -2.412 H31 TEN 17 
TEN H32 H32 H 0 1 N N N 47.234 36.978 25.049 1.187  0.990  -2.412 H32 TEN 18 
TEN H41 H41 H 0 1 N N N 44.707 36.815 24.717 0.525  0.007  -4.590 H41 TEN 19 
TEN H42 H42 H 0 1 N N N 45.272 38.513 24.334 1.716  -1.022 -3.760 H42 TEN 20 
TEN H43 H43 H 0 1 N N N 44.934 37.472 23.024 -0.005 -1.474 -3.760 H43 TEN 21 
TEN H51 H51 H 0 1 N N N 47.409 37.661 21.447 -1.713 -0.965 -0.889 H51 TEN 22 
TEN H52 H52 H 0 1 N N N 48.547 37.724 20.161 -1.713 -0.965 0.890  H52 TEN 23 
TEN H61 H61 H 0 1 N N N 46.344 36.644 19.306 -4.018 -0.762 0.000  H61 TEN 24 
TEN H62 H62 H 0 1 N N N 47.707 35.441 19.305 -3.545 0.704  0.890  H62 TEN 25 
TEN H63 H63 H 0 1 N N N 46.569 35.378 20.591 -3.545 0.704  -0.889 H63 TEN 26 
# 
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 
TEN P1 O1  DOUB N N 1  
TEN P1 O2  SING N N 2  
TEN P1 O3  SING N N 3  
TEN P1 O4  SING N N 4  
TEN O2 C1  SING N N 5  
TEN C1 C2  SING N N 6  
TEN C1 H11 SING N N 7  
TEN C1 H12 SING N N 8  
TEN C2 H21 SING N N 9  
TEN C2 H22 SING N N 10 
TEN C2 H23 SING N N 11 
TEN O3 C3  SING N N 12 
TEN C3 C4  SING N N 13 
TEN C3 H31 SING N N 14 
TEN C3 H32 SING N N 15 
TEN C4 H41 SING N N 16 
TEN C4 H42 SING N N 17 
TEN C4 H43 SING N N 18 
TEN O4 C5  SING N N 19 
TEN C5 C6  SING N N 20 
TEN C5 H51 SING N N 21 
TEN C5 H52 SING N N 22 
TEN C6 H61 SING N N 23 
TEN C6 H62 SING N N 24 
TEN C6 H63 SING N N 25 
# 
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 
TEN SMILES           ACDLabs              10.04 O=P(OCC)(OCC)OCC                                       
TEN InChI            InChI                1.02b InChI=1/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3 
TEN InChIKey         InChI                1.02b DQWPFSLDHJDLRL-UHFFFAOYAA                              
TEN SMILES_CANONICAL CACTVS               3.341 CCO[P](=O)(OCC)OCC                                     
TEN SMILES           CACTVS               3.341 CCO[P](=O)(OCC)OCC                                     
TEN SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCOP(=O)(OCC)OCC                                       
TEN SMILES           "OpenEye OEToolkits" 1.5.0 CCOP(=O)(OCC)OCC                                       
# 
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 
TEN "SYSTEMATIC NAME" ACDLabs              10.04 "triethyl phosphate" 
TEN "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "triethyl phosphate" 
# 
