data_OTP
# 
_chem_comp.id                                    OTP 
_chem_comp.name                                  "(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C40 H68 O7 P2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "OCTAPRENYL PYROPHOSPHATE" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2004-12-06 
_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                        722.911 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     OTP 
_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        1WUB 
_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 
OTP O7   O7   O 0 1 N N N -3.331 62.710 48.486 -2.416 0.398  -16.588 O7   OTP 1   
OTP P2   P2   P 0 1 N N N -3.536 63.978 49.289 -1.007 0.277  -15.818 P2   OTP 2   
OTP O5   O5   O 0 1 N N N -3.962 65.161 48.460 -0.391 -1.033 -16.122 O5   OTP 3   
OTP O6   O6   O 0 1 N N N -4.344 63.800 50.559 -0.027 1.457  -16.306 O6   OTP 4   
OTP O4   O4   O 0 1 N N N -2.022 64.359 49.740 -1.250 0.402  -14.231 O4   OTP 5   
OTP P1   P1   P 0 1 N N S -1.310 63.944 51.147 0.192  0.273  -13.529 P1   OTP 6   
OTP O2   O2   O 0 1 N N N -0.318 65.051 51.451 0.790  -1.037 -13.868 O2   OTP 7   
OTP O3   O3   O 0 1 N N N -2.383 63.686 52.172 1.153  1.453  -14.054 O3   OTP 8   
OTP O1   O1   O 0 1 N N N -0.437 62.631 50.798 0.024  0.389  -11.932 O1   OTP 9   
OTP C40  C40  C 0 1 N N N 0.800  62.689 50.090 1.331  0.268  -11.369 C40  OTP 10  
OTP C39  C39  C 0 1 N N N 0.772  61.651 48.966 1.243  0.369  -9.868  C39  OTP 11  
OTP C37  C37  C 0 1 N N N 2.130  61.160 48.477 1.913  -0.467 -9.114  C37  OTP 12  
OTP C38  C38  C 0 1 N N N 3.326  61.495 49.362 2.864  -1.453 -9.744  C38  OTP 13  
OTP C36  C36  C 0 1 N N N 2.036  59.673 48.158 1.733  -0.444 -7.618  C36  OTP 14  
OTP C35  C35  C 0 1 N N N 0.818  59.372 47.285 0.602  -1.396 -7.226  C35  OTP 15  
OTP C34  C34  C 0 1 N N N 1.141  58.008 46.711 0.422  -1.373 -5.730  C34  OTP 16  
OTP C32  C32  C 0 1 N N N 1.580  57.727 45.464 -0.747 -1.084 -5.215  C32  OTP 17  
OTP C33  C33  C 0 1 N N N 1.814  58.787 44.405 -1.940 -0.892 -6.116  C33  OTP 18  
OTP C31  C31  C 0 1 N N N 1.874  56.247 45.199 -0.899 -0.942 -3.722  C31  OTP 19  
OTP C30  C30  C 0 1 N N N 1.796  55.698 43.806 -0.647 0.511  -3.319  C30  OTP 20  
OTP C29  C29  C 0 1 N N N 1.870  54.373 43.477 -0.799 0.652  -1.827  C29  OTP 21  
OTP C27  C27  C 0 1 N N N 1.743  54.058 42.165 0.171  1.168  -1.115  C27  OTP 22  
OTP C28  C28  C 0 1 N N N 1.577  55.132 41.162 1.390  1.732  -1.800  C28  OTP 23  
OTP C26  C26  C 0 1 N N N 1.780  52.701 41.464 0.070  1.199  0.387   C26  OTP 24  
OTP C25  C25  C 0 1 N N N 2.744  51.699 41.971 0.672  -0.083 0.965   C25  OTP 25  
OTP C24  C24  C 0 1 N N N 2.749  50.422 41.535 0.571  -0.052 2.468   C24  OTP 26  
OTP C22  C22  C 0 1 N N N 3.630  49.598 42.131 -0.030 -1.027 3.104   C22  OTP 27  
OTP C23  C23  C 0 1 N N N 4.498  50.114 43.258 -0.726 -2.116 2.329   C23  OTP 28  
OTP C21  C21  C 0 1 N N N 3.721  48.113 41.798 -0.026 -1.059 4.611   C21  OTP 29  
OTP C20  C20  C 0 1 N N N 4.902  47.568 41.031 -1.246 -0.303 5.140   C20  OTP 30  
OTP C19  C19  C 0 1 N N N 4.919  46.227 40.808 -1.242 -0.335 6.647   C19  OTP 31  
OTP C17  C17  C 0 1 N N N 5.903  45.679 40.099 -1.285 0.783  7.326   C17  OTP 32  
OTP C18  C18  C 0 1 N N N 6.941  46.593 39.525 -1.455 2.096  6.605   C18  OTP 33  
OTP C16  C16  C 0 1 N N N 5.983  44.189 39.778 -1.165 0.759  8.828   C16  OTP 34  
OTP C15  C15  C 0 1 N N N 5.196  43.178 40.609 0.307  0.873  9.224   C15  OTP 35  
OTP C14  C14  C 0 1 N N N 5.574  41.865 40.440 0.428  0.849  10.726  C14  OTP 36  
OTP C12  C12  C 0 1 N N N 5.086  40.807 41.130 1.209  -0.027 11.306  C12  OTP 37  
OTP C13  C13  C 0 1 N N N 4.007  41.062 42.148 2.077  -0.933 10.470  C13  OTP 38  
OTP C11  C11  C 0 1 N N N 5.544  39.351 40.958 1.241  -0.130 12.809  C11  OTP 39  
OTP C10  C10  C 0 1 N N N 6.933  39.143 41.585 0.191  -1.140 13.274  C10  OTP 40  
OTP C9   C9   C 0 1 N N N 7.606  37.971 41.328 0.223  -1.243 14.777  C9   OTP 41  
OTP C7   C7   C 0 1 N N N 8.868  37.642 41.689 -0.872 -1.054 15.470  C7   OTP 42  
OTP C8   C8   C 0 1 N N N 9.769  38.550 42.450 -2.186 -0.854 14.761  C8   OTP 43  
OTP C6   C6   C 0 1 N N N 9.535  36.312 41.303 -0.817 -1.036 16.976  C6   OTP 44  
OTP C5   C5   C 0 1 N N N 9.407  35.143 42.220 -0.569 0.392  17.460  C5   OTP 45  
OTP C4   C4   C 0 1 N N N 10.037 33.963 41.962 -0.514 0.410  18.966  C4   OTP 46  
OTP C2   C2   C 0 1 N N N 9.836  32.882 42.735 0.526  0.919  19.578  C2   OTP 47  
OTP C3   C3   C 0 1 N N N 8.943  32.907 43.947 0.636  0.828  21.078  C3   OTP 48  
OTP C1   C1   C 0 1 N N N 10.523 31.611 42.368 1.612  1.594  18.782  C1   OTP 49  
OTP HO7  HO7  H 0 1 N N N -3.062 61.964 49.009 -2.227 0.319  -17.532 HO7  OTP 50  
OTP HO6  HO6  H 0 1 N N N -4.473 64.595 51.063 -0.465 2.292  -16.090 HO6  OTP 51  
OTP HO3  HO3  H 0 1 N N N -1.968 63.444 52.992 0.727  2.287  -13.814 HO3  OTP 52  
OTP H401 1H40 H 0 0 N N N 1.682  62.567 50.761 1.967  1.067  -11.750 H401 OTP 53  
OTP H402 2H40 H 0 0 N N N 1.031  63.714 49.718 1.757  -0.697 -11.643 H402 OTP 54  
OTP H39  H39  H 0 1 N N N -0.172 61.279 48.534 0.628  1.131  -9.413  H39  OTP 55  
OTP H381 1H38 H 0 0 N N N 3.143  61.127 50.399 3.583  -0.918 -10.365 H381 OTP 56  
OTP H382 2H38 H 0 0 N N N 4.319  61.136 49.004 3.393  -1.997 -8.962  H382 OTP 57  
OTP H383 3H38 H 0 0 N N N 3.365  62.595 49.542 2.303  -2.155 -10.360 H383 OTP 58  
OTP H361 1H36 H 0 0 N N N 2.039  59.054 49.085 1.484  0.567  -7.298  H361 OTP 59  
OTP H362 2H36 H 0 0 N N N 2.976  59.293 47.695 2.658  -0.761 -7.136  H362 OTP 60  
OTP H351 1H35 H 0 0 N N N 0.585  60.154 46.525 0.851  -2.408 -7.546  H351 OTP 61  
OTP H352 2H35 H 0 0 N N N -0.161 59.435 47.814 -0.322 -1.080 -7.708  H352 OTP 62  
OTP H34  H34  H 0 1 N N N 1.041  57.075 47.291 1.257  -1.595 -5.082  H34  OTP 63  
OTP H331 1H33 H 0 0 N N N 2.510  59.542 44.840 -2.065 -1.773 -6.745  H331 OTP 64  
OTP H332 2H33 H 0 0 N N N 2.176  58.555 43.376 -2.833 -0.748 -5.509  H332 OTP 65  
OTP H333 3H33 H 0 0 N N N 0.867  59.366 44.301 -1.783 -0.016 -6.745  H333 OTP 66  
OTP H311 1H31 H 0 0 N N N 1.212  55.635 45.855 -0.178 -1.588 -3.221  H311 OTP 67  
OTP H312 2H31 H 0 0 N N N 2.882  56.010 45.614 -1.909 -1.231 -3.431  H312 OTP 68  
OTP H301 1H30 H 0 0 N N N 2.582  56.220 43.212 -1.368 1.157  -3.821  H301 OTP 69  
OTP H302 2H30 H 0 0 N N N 0.850  56.086 43.362 0.362  0.799  -3.611  H302 OTP 70  
OTP H29  H29  H 0 1 N N N 2.026  53.591 44.239 -1.709 0.328  -1.344  H29  OTP 71  
OTP H281 1H28 H 0 0 N N N 2.421  55.852 41.272 1.082  2.481  -2.530  H281 OTP 72  
OTP H282 2H28 H 0 0 N N N 1.473  54.873 40.083 2.042  2.193  -1.059  H282 OTP 73  
OTP H283 3H28 H 0 0 N N N 0.707  55.762 41.460 1.926  0.929  -2.307  H283 OTP 74  
OTP H261 1H26 H 0 0 N N N 1.946  52.854 40.372 -0.977 1.272  0.679   H261 OTP 75  
OTP H262 2H26 H 0 0 N N N 0.756  52.259 41.460 0.615  2.061  0.771   H262 OTP 76  
OTP H251 1H25 H 0 0 N N N 2.657  51.677 43.082 1.720  -0.156 0.673   H251 OTP 77  
OTP H252 2H25 H 0 0 N N N 3.770  52.111 41.824 0.127  -0.945 0.581   H252 OTP 78  
OTP H24  H24  H 0 1 N N N 2.072  50.072 40.738 0.995  0.772  3.021   H24  OTP 79  
OTP H231 1H23 H 0 0 N N N 3.837  50.552 44.042 0.008  -2.678 1.753   H231 OTP 80  
OTP H232 2H23 H 0 0 N N N 5.228  49.431 43.752 -1.235 -2.786 3.021   H232 OTP 81  
OTP H233 3H23 H 0 0 N N N 5.045  51.017 42.899 -1.455 -1.671 1.652   H233 OTP 82  
OTP H211 1H21 H 0 0 N N N 2.790  47.819 41.260 0.883  -0.586 4.982   H211 OTP 83  
OTP H212 2H21 H 0 0 N N N 3.626  47.536 42.748 -0.063 -2.093 4.952   H212 OTP 84  
OTP H201 1H20 H 0 0 N N N 5.849  47.876 41.534 -2.155 -0.776 4.769   H201 OTP 85  
OTP H202 2H20 H 0 0 N N N 5.000  48.110 40.061 -1.209 0.731  4.799   H202 OTP 86  
OTP H19  H19  H 0 1 N N N 4.124  45.575 41.208 -1.204 -1.281 7.167   H19  OTP 87  
OTP H181 1H18 H 0 0 N N N 7.378  47.212 40.343 -2.418 2.108  6.094   H181 OTP 88  
OTP H182 2H18 H 0 0 N N N 7.765  46.134 38.931 -1.415 2.914  7.325   H182 OTP 89  
OTP H183 3H18 H 0 0 N N N 6.440  47.378 38.912 -0.655 2.215  5.875   H183 OTP 90  
OTP H161 1H16 H 0 0 N N N 7.056  43.887 39.782 -1.572 -0.177 9.209   H161 OTP 91  
OTP H162 2H16 H 0 0 N N N 5.714  44.047 38.705 -1.721 1.595  9.251   H162 OTP 92  
OTP H151 1H15 H 0 0 N N N 4.103  43.291 40.419 0.714  1.810  8.842   H151 OTP 93  
OTP H152 2H15 H 0 0 N N N 5.235  43.454 41.689 0.864  0.037  8.801   H152 OTP 94  
OTP H14  H14  H 0 1 N N N 6.341  41.639 39.680 -0.130 1.553  11.324  H14  OTP 95  
OTP H131 1H13 H 0 0 N N N 3.162  41.599 41.657 2.791  -0.333 9.906   H131 OTP 96  
OTP H132 2H13 H 0 0 N N N 3.605  40.191 42.716 2.615  -1.622 11.120  H132 OTP 97  
OTP H133 3H13 H 0 0 N N N 4.361  41.836 42.869 1.452  -1.498 9.779   H133 OTP 98  
OTP H111 1H11 H 0 0 N N N 5.520  39.033 39.890 1.025  0.845  13.244  H111 OTP 99  
OTP H112 2H11 H 0 0 N N N 4.795  38.631 41.363 2.230  -0.459 13.130  H112 OTP 100 
OTP H101 1H10 H 0 0 N N N 6.855  39.279 42.689 0.408  -2.116 12.838  H101 OTP 101 
OTP H102 2H10 H 0 0 N N N 7.587  40.003 41.307 -0.796 -0.811 12.953  H102 OTP 102 
OTP H9   H9   H 0 1 N N N 7.065  37.196 40.760 1.149  -1.472 15.283  H9   OTP 103 
OTP H81  1H8  H 0 1 N N N 9.228  38.850 43.378 -2.365 -1.690 14.084  H81  OTP 104 
OTP H82  2H8  H 0 1 N N N 10.809 38.279 42.748 -2.991 -0.803 15.495  H82  OTP 105 
OTP H83  3H8  H 0 1 N N N 9.827  39.509 41.883 -2.155 0.073  14.191  H83  OTP 106 
OTP H61  1H6  H 0 1 N N N 10.617 36.497 41.108 -0.008 -1.682 17.317  H61  OTP 107 
OTP H62  2H6  H 0 1 N N N 9.178  36.013 40.290 -1.764 -1.397 17.378  H62  OTP 108 
OTP H51  1H5  H 0 1 N N N 8.321  34.930 42.354 -1.378 1.038  17.118  H51  OTP 109 
OTP H52  2H5  H 0 1 N N N 9.705  35.475 43.242 0.377  0.753  17.058  H52  OTP 110 
OTP H4   H4   H 0 1 N N N 10.727 33.881 41.106 -1.333 0.004  19.541  H4   OTP 111 
OTP H31  1H3  H 0 1 N N N 7.943  33.278 43.621 1.562  1.302  21.403  H31  OTP 112 
OTP H32  2H3  H 0 1 N N N 8.776  32.010 44.588 -0.211 1.335  21.537  H32  OTP 113 
OTP H33  3H3  H 0 1 N N N 9.297  33.732 44.608 0.640  -0.219 21.379  H33  OTP 114 
OTP H11  1H1  H 0 1 N N N 11.619 31.801 42.287 1.176  2.381  18.166  H11  OTP 115 
OTP H12  2H1  H 0 1 N N N 10.356 30.714 43.009 2.344  2.030  19.462  H12  OTP 116 
OTP H13  3H1  H 0 1 N N N 10.272 31.354 41.312 2.102  0.861  18.141  H13  OTP 117 
# 
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 
OTP O7  P2   SING N N 1   
OTP O7  HO7  SING N N 2   
OTP P2  O5   DOUB N N 3   
OTP P2  O6   SING N N 4   
OTP P2  O4   SING N N 5   
OTP O6  HO6  SING N N 6   
OTP O4  P1   SING N N 7   
OTP P1  O2   DOUB N N 8   
OTP P1  O3   SING N N 9   
OTP P1  O1   SING N N 10  
OTP O3  HO3  SING N N 11  
OTP O1  C40  SING N N 12  
OTP C40 C39  SING N N 13  
OTP C40 H401 SING N N 14  
OTP C40 H402 SING N N 15  
OTP C39 C37  DOUB N E 16  
OTP C39 H39  SING N N 17  
OTP C37 C38  SING N N 18  
OTP C37 C36  SING N N 19  
OTP C38 H381 SING N N 20  
OTP C38 H382 SING N N 21  
OTP C38 H383 SING N N 22  
OTP C36 C35  SING N N 23  
OTP C36 H361 SING N N 24  
OTP C36 H362 SING N N 25  
OTP C35 C34  SING N N 26  
OTP C35 H351 SING N N 27  
OTP C35 H352 SING N N 28  
OTP C34 C32  DOUB N E 29  
OTP C34 H34  SING N N 30  
OTP C32 C33  SING N N 31  
OTP C32 C31  SING N N 32  
OTP C33 H331 SING N N 33  
OTP C33 H332 SING N N 34  
OTP C33 H333 SING N N 35  
OTP C31 C30  SING N N 36  
OTP C31 H311 SING N N 37  
OTP C31 H312 SING N N 38  
OTP C30 C29  SING N N 39  
OTP C30 H301 SING N N 40  
OTP C30 H302 SING N N 41  
OTP C29 C27  DOUB N E 42  
OTP C29 H29  SING N N 43  
OTP C27 C28  SING N N 44  
OTP C27 C26  SING N N 45  
OTP C28 H281 SING N N 46  
OTP C28 H282 SING N N 47  
OTP C28 H283 SING N N 48  
OTP C26 C25  SING N N 49  
OTP C26 H261 SING N N 50  
OTP C26 H262 SING N N 51  
OTP C25 C24  SING N N 52  
OTP C25 H251 SING N N 53  
OTP C25 H252 SING N N 54  
OTP C24 C22  DOUB N E 55  
OTP C24 H24  SING N N 56  
OTP C22 C23  SING N N 57  
OTP C22 C21  SING N N 58  
OTP C23 H231 SING N N 59  
OTP C23 H232 SING N N 60  
OTP C23 H233 SING N N 61  
OTP C21 C20  SING N N 62  
OTP C21 H211 SING N N 63  
OTP C21 H212 SING N N 64  
OTP C20 C19  SING N N 65  
OTP C20 H201 SING N N 66  
OTP C20 H202 SING N N 67  
OTP C19 C17  DOUB N E 68  
OTP C19 H19  SING N N 69  
OTP C17 C18  SING N N 70  
OTP C17 C16  SING N N 71  
OTP C18 H181 SING N N 72  
OTP C18 H182 SING N N 73  
OTP C18 H183 SING N N 74  
OTP C16 C15  SING N N 75  
OTP C16 H161 SING N N 76  
OTP C16 H162 SING N N 77  
OTP C15 C14  SING N N 78  
OTP C15 H151 SING N N 79  
OTP C15 H152 SING N N 80  
OTP C14 C12  DOUB N E 81  
OTP C14 H14  SING N N 82  
OTP C12 C13  SING N N 83  
OTP C12 C11  SING N N 84  
OTP C13 H131 SING N N 85  
OTP C13 H132 SING N N 86  
OTP C13 H133 SING N N 87  
OTP C11 C10  SING N N 88  
OTP C11 H111 SING N N 89  
OTP C11 H112 SING N N 90  
OTP C10 C9   SING N N 91  
OTP C10 H101 SING N N 92  
OTP C10 H102 SING N N 93  
OTP C9  C7   DOUB N E 94  
OTP C9  H9   SING N N 95  
OTP C7  C8   SING N N 96  
OTP C7  C6   SING N N 97  
OTP C8  H81  SING N N 98  
OTP C8  H82  SING N N 99  
OTP C8  H83  SING N N 100 
OTP C6  C5   SING N N 101 
OTP C6  H61  SING N N 102 
OTP C6  H62  SING N N 103 
OTP C5  C4   SING N N 104 
OTP C5  H51  SING N N 105 
OTP C5  H52  SING N N 106 
OTP C4  C2   DOUB N N 107 
OTP C4  H4   SING N N 108 
OTP C2  C3   SING N N 109 
OTP C2  C1   SING N N 110 
OTP C3  H31  SING N N 111 
OTP C3  H32  SING N N 112 
OTP C3  H33  SING N N 113 
OTP C1  H11  SING N N 114 
OTP C1  H12  SING N N 115 
OTP C1  H13  SING N N 116 
# 
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 
OTP SMILES           ACDLabs              10.04 O=P(O)(O)OP(=O)(O)OC/C=C(/CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)C 
OTP InChI            InChI                1.02b 
;InChI=1/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,44,45)(H2,41,42,43)/b34-19+,35-21+,36-23+,37-25+,38-27+,39-29+,40-31+/f/h41-42,44H
;
OTP InChIKey         InChI                1.02b IKKLDISSULFFQO-OGYOCHPFDI 
OTP SMILES_CANONICAL CACTVS               3.341 CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CO[P@@](O)(=O)O[P](O)(O)=O 
OTP SMILES           CACTVS               3.341 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O 
OTP SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C 
OTP SMILES           "OpenEye OEToolkits" 1.5.0 CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C)C)C)C)C 
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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 
OTP "SYSTEMATIC NAME" ACDLabs              10.04 "(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate"     
OTP "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl] phosphono hydrogen phosphate" 
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