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        ?
##
