data_FFT # _chem_comp.id FFT _chem_comp.name "(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C15 H27 O4 P" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "farnesyl monophosphate" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2011-11-03 _chem_comp.pdbx_modified_date 2021-03-01 _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 302.346 _chem_comp.one_letter_code ? _chem_comp.three_letter_code FFT _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 3UGS _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 FFT O3 O3 O 0 1 N N N 27.667 21.708 46.401 -0.042 1.974 1.039 O3 FFT 1 FFT P P P 0 1 N N N 27.613 20.196 46.636 1.369 2.512 0.479 P FFT 2 FFT O1 O1 O 0 1 N N N 27.581 19.738 48.125 1.117 3.786 -0.472 O1 FFT 3 FFT O2 O2 O 0 1 N N N 26.592 19.428 45.846 2.233 2.906 1.614 O2 FFT 4 FFT O O O 0 1 N N N 29.001 19.721 46.032 2.090 1.346 -0.366 O FFT 5 FFT C14 C14 C 0 1 N N N 29.725 18.636 46.607 2.541 0.124 0.222 C14 FFT 6 FFT C13 C13 C 0 1 N N N 31.148 18.698 46.068 3.168 -0.743 -0.839 C13 FFT 7 FFT C11 C11 C 0 1 N N N 32.178 18.320 46.806 2.878 -2.019 -0.898 C11 FFT 8 FFT C12 C12 C 0 1 N N N 33.530 18.376 46.186 3.445 -2.870 -2.005 C12 FFT 9 FFT C10 C10 C 0 1 N N N 31.958 17.809 48.231 1.976 -2.635 0.140 C10 FFT 10 FFT C9 C9 C 0 1 N N N 32.852 18.493 49.228 0.531 -2.615 -0.361 C9 FFT 11 FFT C8 C8 C 0 1 N N N 32.508 18.072 50.656 -0.370 -3.231 0.677 C8 FFT 12 FFT C6 C6 C 0 1 N N N 33.474 17.687 51.525 -1.368 -2.541 1.172 C6 FFT 13 FFT C7 C7 C 0 1 N N N 33.153 17.299 52.949 -2.343 -3.197 2.115 C7 FFT 14 FFT C5 C5 C 0 1 N N N 34.903 17.643 51.051 -1.540 -1.092 0.797 C5 FFT 15 FFT C4 C4 C 0 1 N N N 35.889 18.240 52.041 -2.439 -0.987 -0.436 C4 FFT 16 FFT C3 C3 C 0 1 N N N 37.305 17.962 51.546 -2.611 0.463 -0.810 C3 FFT 17 FFT C1 C1 C 0 1 N N N 38.328 17.621 52.372 -3.813 0.967 -0.944 C1 FFT 18 FFT C2 C2 C 0 1 N N N 38.160 17.503 53.868 -5.021 0.069 -0.852 C2 FFT 19 FFT C C C 0 1 N N N 39.669 17.344 51.770 -3.989 2.443 -1.189 C FFT 20 FFT H1 H1 H 0 1 N N N 27.013 21.952 45.757 -0.660 1.697 0.349 H1 FFT 21 FFT H2 H2 H 0 1 N N N 26.921 19.064 48.235 0.685 4.529 -0.029 H2 FFT 22 FFT H3 H3 H 0 1 N N N 29.731 18.724 47.703 3.278 0.343 0.995 H3 FFT 23 FFT H4 H4 H 0 1 N N N 29.257 17.680 46.331 1.694 -0.399 0.666 H4 FFT 24 FFT H5 H5 H 0 1 N N N 31.319 19.057 45.064 3.856 -0.312 -1.551 H5 FFT 25 FFT H6 H6 H 0 1 N N N 34.282 18.035 46.913 4.400 -3.289 -1.688 H6 FFT 26 FFT H7 H7 H 0 1 N N N 33.554 17.724 45.300 2.751 -3.680 -2.232 H7 FFT 27 FFT H8 H8 H 0 1 N N N 33.753 19.411 45.886 3.593 -2.258 -2.894 H8 FFT 28 FFT H9 H9 H 0 1 N N N 30.912 17.998 48.512 2.283 -3.665 0.322 H9 FFT 29 FFT H10 H10 H 0 1 N N N 32.172 16.730 48.252 2.047 -2.066 1.067 H10 FFT 30 FFT H11 H11 H 0 1 N N N 33.896 18.219 49.017 0.224 -1.585 -0.543 H11 FFT 31 FFT H12 H12 H 0 1 N N N 32.722 19.581 49.136 0.460 -3.184 -1.288 H12 FFT 32 FFT H13 H13 H 0 1 N N N 31.477 18.081 50.978 -0.194 -4.242 1.014 H13 FFT 33 FFT H14 H14 H 0 1 N N N 34.080 17.023 53.472 -1.992 -3.079 3.141 H14 FFT 34 FFT H15 H15 H 0 1 N N N 32.681 18.149 53.463 -3.321 -2.727 2.010 H15 FFT 35 FFT H16 H16 H 0 1 N N N 32.463 16.442 52.949 -2.421 -4.257 1.878 H16 FFT 36 FFT H17 H17 H 0 1 N N N 35.177 16.590 50.887 -1.997 -0.554 1.628 H17 FFT 37 FFT H18 H18 H 0 1 N N N 34.971 18.214 50.113 -0.566 -0.655 0.575 H18 FFT 38 FFT H19 H19 H 0 1 N N N 35.728 19.326 52.117 -1.982 -1.525 -1.266 H19 FFT 39 FFT H20 H20 H 0 1 N N N 35.745 17.783 53.031 -3.413 -1.423 -0.213 H20 FFT 40 FFT H21 H21 H 0 1 N N N 37.504 18.040 50.487 -1.744 1.086 -0.969 H21 FFT 41 FFT H22 H22 H 0 1 N N N 39.119 17.217 54.324 -5.303 -0.055 0.193 H22 FFT 42 FFT H23 H23 H 0 1 N N N 37.833 18.470 54.278 -5.849 0.518 -1.401 H23 FFT 43 FFT H24 H24 H 0 1 N N N 37.405 16.736 54.093 -4.784 -0.904 -1.283 H24 FFT 44 FFT H25 H25 H 0 1 N N N 40.382 17.084 52.566 -3.011 2.924 -1.223 H25 FFT 45 FFT H26 H26 H 0 1 N N N 39.587 16.505 51.063 -4.502 2.596 -2.138 H26 FFT 46 FFT H27 H27 H 0 1 N N N 40.024 18.239 51.238 -4.579 2.878 -0.382 H27 FFT 47 # # 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 FFT O2 P DOUB N N 1 FFT O C14 SING N N 2 FFT O P SING N N 3 FFT C13 C14 SING N N 4 FFT C13 C11 DOUB N Z 5 FFT C12 C11 SING N N 6 FFT O3 P SING N N 7 FFT P O1 SING N N 8 FFT C11 C10 SING N N 9 FFT C10 C9 SING N N 10 FFT C9 C8 SING N N 11 FFT C8 C6 DOUB N Z 12 FFT C5 C6 SING N N 13 FFT C5 C4 SING N N 14 FFT C6 C7 SING N N 15 FFT C3 C4 SING N N 16 FFT C3 C1 DOUB N N 17 FFT C C1 SING N N 18 FFT C1 C2 SING N N 19 FFT O3 H1 SING N N 20 FFT O1 H2 SING N N 21 FFT C14 H3 SING N N 22 FFT C14 H4 SING N N 23 FFT C13 H5 SING N N 24 FFT C12 H6 SING N N 25 FFT C12 H7 SING N N 26 FFT C12 H8 SING N N 27 FFT C10 H9 SING N N 28 FFT C10 H10 SING N N 29 FFT C9 H11 SING N N 30 FFT C9 H12 SING N N 31 FFT C8 H13 SING N N 32 FFT C7 H14 SING N N 33 FFT C7 H15 SING N N 34 FFT C7 H16 SING N N 35 FFT C5 H17 SING N N 36 FFT C5 H18 SING N N 37 FFT C4 H19 SING N N 38 FFT C4 H20 SING N N 39 FFT C3 H21 SING N N 40 FFT C2 H22 SING N N 41 FFT C2 H23 SING N N 42 FFT C2 H24 SING N N 43 FFT C H25 SING N N 44 FFT C H26 SING N N 45 FFT C H27 SING N N 46 # # 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 FFT SMILES ACDLabs 12.01 "O=P(OC\C=C(/CC/C=C(/C)CC\C=C(/C)C)C)(O)O" FFT InChI InChI 1.03 "InChI=1S/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/b14-9-,15-11-" FFT InChIKey InChI 1.03 ALEWCKXBHSDCCT-FBXUGWQNSA-N FFT SMILES_CANONICAL CACTVS 3.370 "CC(C)=CCCC(\C)=C/CCC(\C)=C/CO[P](O)(O)=O" FFT SMILES CACTVS 3.370 "CC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(O)=O" FFT SMILES_CANONICAL "OpenEye OEToolkits" 1.7.2 "CC(=CCC/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)C" FFT SMILES "OpenEye OEToolkits" 1.7.2 "CC(=CCCC(=CCCC(=CCOP(=O)(O)O)C)C)C" # # 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 FFT "SYSTEMATIC NAME" ACDLabs 12.01 "(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate" FFT "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.2 "[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] dihydrogen phosphate" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site FFT "Create component" 2011-11-03 RCSB FFT "Modify synonyms" 2011-11-14 RCSB FFT "Modify synonyms" 2021-03-01 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id FFT _pdbx_chem_comp_synonyms.name "farnesyl monophosphate" _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##