data_PCF
# 
_chem_comp.id                                    PCF 
_chem_comp.name                                  1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C40 H80 N O8 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2002-09-09 
_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                        734.039 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     PCF 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   Y 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1KB9 
_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 
PCF N    N    N 1  1 N N N -19.592 67.616 21.785 10.949 -5.813  -7.603  N    PCF 1   
PCF P    P    P 0  1 N N N -16.364 67.575 19.063 7.629  -1.963  -7.599  P    PCF 2   
PCF O11  O11  O 0  1 N N N -16.360 66.004 18.723 6.515  -3.146  -7.424  O11  PCF 3   
PCF O12  O12  O 0  1 N N N -16.374 68.450 17.808 7.319  -0.838  -6.635  O12  PCF 4   
PCF O13  O13  O 0  1 N N N -17.647 67.933 19.931 8.963  -2.745  -7.061  O13  PCF 5   
PCF O14  O14  O -1 1 N N N -15.036 67.820 19.789 7.784  -1.680  -9.079  O14  PCF 6   
PCF C11  C11  C 0  1 N N N -18.562 68.488 19.705 9.309  -3.997  -7.631  C11  PCF 7   
PCF C12  C12  C 0  1 N N N -19.791 67.805 20.326 10.572 -4.521  -6.976  C12  PCF 8   
PCF C13  C13  C 0  1 N N N -19.340 68.907 22.448 9.844  -6.859  -7.403  C13  PCF 9   
PCF C14  C14  C 0  1 N N N -20.788 67.001 22.329 11.175 -5.640  -9.111  C14  PCF 10  
PCF C15  C15  C 0  1 N N N -18.474 66.703 22.093 12.243 -6.360  -6.986  C15  PCF 11  
PCF C1   C1   C 0  1 N N N -16.573 65.181 19.844 6.187  -3.597  -6.114  C1   PCF 12  
PCF C2   C2   C 0  1 N N R -16.579 63.712 19.417 5.133  -4.695  -6.195  C2   PCF 13  
PCF C3   C3   C 0  1 N N N -17.749 63.219 20.310 5.629  -5.886  -7.005  C3   PCF 14  
PCF O31  O31  O 0  1 N N N -17.948 61.843 20.099 4.613  -6.892  -7.023  O31  PCF 15  
PCF O32  O32  O 0  1 N N N -19.657 61.993 21.618 5.963  -8.250  -8.311  O32  PCF 16  
PCF C31  C31  C 0  1 N N N -18.970 61.374 20.854 4.917  -8.027  -7.716  C31  PCF 17  
PCF C32  C32  C 0  1 N N N -19.161 59.899 20.618 3.758  -8.993  -7.652  C32  PCF 18  
PCF C33  C33  C 0  1 N N N -19.785 59.607 19.240 4.024  -10.273 -8.442  C33  PCF 19  
PCF C34  C34  C 0  1 N N N -20.040 58.108 19.086 2.905  -11.321 -8.385  C34  PCF 20  
PCF C35  C35  C 0  1 N N N -19.895 57.655 17.636 3.175  -12.559 -9.242  C35  PCF 21  
PCF C36  C36  C 0  1 N N N -19.116 56.354 17.629 2.015  -13.553 -9.156  C36  PCF 22  
PCF C37  C37  C 0  1 N N N -18.295 56.214 16.358 2.191  -14.780 -10.058 C37  PCF 23  
PCF C38  C38  C 0  1 N N N -18.942 55.144 15.493 1.032  -15.783 -10.057 C38  PCF 24  
PCF C39  C39  C 0  1 N N N -17.980 53.986 15.247 1.248  -16.971 -10.996 C39  PCF 25  
PCF C40  C40  C 0  1 N N N -18.327 53.305 13.921 0.044  -17.917 -10.981 C40  PCF 26  
PCF C41  C41  C 0  1 N N N -17.144 53.379 12.947 0.247  -19.086 -11.948 C41  PCF 27  
PCF C42  C42  C 0  1 N N N -17.466 52.699 11.616 -0.944 -20.046 -11.913 C42  PCF 28  
PCF C43  C43  C 0  1 N N N -16.398 53.060 10.582 -0.781 -21.255 -12.840 C43  PCF 29  
PCF O21  O21  O 0  1 N N N -17.026 63.551 18.068 4.844  -5.152  -4.871  O21  PCF 30  
PCF O22  O22  O 0  1 N N N -15.071 62.669 17.290 4.160  -3.031  -4.274  O22  PCF 31  
PCF C21  C21  C 0  1 N N N -16.266 62.687 17.351 4.361  -4.209  -4.011  C21  PCF 32  
PCF C22  C22  C 0  1 N N N -17.106 61.709 16.589 4.106  -4.830  -2.659  C22  PCF 33  
PCF C23  C23  C 0  1 N N N -16.455 61.294 15.260 3.597  -3.813  -1.639  C23  PCF 34  
PCF C24  C24  C 0  1 N N N -16.430 59.769 15.153 3.273  -4.383  -0.252  C24  PCF 35  
PCF C25  C25  C 0  1 N N N -15.945 59.322 13.769 2.832  -3.325  0.762   C25  PCF 36  
PCF C26  C26  C 0  1 N N N -15.924 57.784 13.673 2.545  -3.955  2.126   C26  PCF 37  
PCF C27  C27  C 0  1 N N N ?       ?      ?      2.175  -2.934  3.207   C27  PCF 38  
PCF C28  C28  C 0  1 N N N ?       ?      ?      1.933  -3.502  4.610   C28  PCF 39  
PCF C29  C29  C 0  1 N N N ?       ?      ?      1.597  -2.437  5.655   C29  PCF 40  
PCF C30  C30  C 0  1 N N N ?       ?      ?      1.403  -3.058  7.040   C30  PCF 41  
PCF C47  C47  C 0  1 N N N ?       ?      ?      1.103  -1.987  8.091   C47  PCF 42  
PCF C48  C48  C 0  1 N N N ?       ?      ?      0.882  -2.610  9.471   C48  PCF 43  
PCF C49  C49  C 0  1 N N N ?       ?      ?      0.546  -1.584  10.558  C49  PCF 44  
PCF C50  C50  C 0  1 N N N ?       ?      ?      0.401  -2.200  11.951  C50  PCF 45  
PCF C51  C51  C 0  1 N N N ?       ?      ?      0.063  -1.173  13.035  C51  PCF 46  
PCF C52  C52  C 0  1 N N N ?       ?      ?      -0.053 -1.772  14.428  C52  PCF 47  
PCF C44  C44  C 0  1 N N N ?       ?      ?      -2.006 -22.173 -12.862 C44  PCF 48  
PCF C45  C45  C 0  1 N N N ?       ?      ?      -1.839 -23.382 -13.788 C45  PCF 49  
PCF C46  C46  C 0  1 N N N ?       ?      ?      -3.063 -24.284 -13.839 C46  PCF 50  
PCF H111 1H11 H 0  0 N N N -18.473 69.505 20.115 9.482  -3.844  -8.701  H111 PCF 51  
PCF H112 2H11 H 0  0 N N N -18.693 68.518 18.613 8.471  -4.689  -7.505  H112 PCF 52  
PCF H121 1H12 H 0  0 N N N -19.938 66.824 19.851 10.429 -4.725  -5.911  H121 PCF 53  
PCF H122 2H12 H 0  0 N N N -20.674 68.440 20.164 11.416 -3.842  -7.124  H122 PCF 54  
PCF H131 1H13 H 0  0 N N N -19.277 68.755 23.536 9.821  -7.121  -6.344  H131 PCF 55  
PCF H132 2H13 H 0  0 N N N -18.392 69.328 22.081 8.900  -6.412  -7.717  H132 PCF 56  
PCF H133 3H13 H 0  0 N N N -20.162 69.602 22.222 10.091 -7.727  -8.017  H133 PCF 57  
PCF H141 1H14 H 0  0 N N N -20.661 66.845 23.411 10.362 -6.149  -9.632  H141 PCF 58  
PCF H142 2H14 H 0  0 N N N -21.651 67.659 22.152 11.173 -4.570  -9.329  H142 PCF 59  
PCF H143 3H14 H 0  0 N N N -20.958 66.032 21.837 12.140 -6.088  -9.358  H143 PCF 60  
PCF H151 1H15 H 0  0 N N N -17.920 66.476 21.170 13.083 -5.871  -7.482  H151 PCF 61  
PCF H152 2H15 H 0  0 N N N -17.798 67.182 22.817 12.228 -6.129  -5.919  H152 PCF 62  
PCF H153 3H15 H 0  0 N N N -18.870 65.771 22.522 12.263 -7.439  -7.154  H153 PCF 63  
PCF H11  1H1  H 0  1 N N N -15.767 65.345 20.574 7.105  -3.955  -5.639  H11  PCF 64  
PCF H12  2H1  H 0  1 N N N -17.543 65.431 20.298 5.814  -2.733  -5.556  H12  PCF 65  
PCF H21  1H2  H 0  1 N N N -15.597 63.222 19.499 4.193  -4.313  -6.608  H21  PCF 66  
PCF H31  1H3  H 0  1 N N N -17.504 63.397 21.368 6.528  -6.323  -6.557  H31  PCF 67  
PCF H32  2H3  H 0  1 N N N -18.666 63.768 20.051 5.839  -5.598  -8.040  H32  PCF 68  
PCF H321 1H32 H 0  0 N N N -18.179 59.406 20.670 3.586  -9.230  -6.596  H321 PCF 69  
PCF H322 2H32 H 0  0 N N N -19.847 59.518 21.389 2.843  -8.509  -8.012  H322 PCF 70  
PCF H331 1H33 H 0  0 N N N -20.738 60.148 19.151 4.198  -10.018 -9.495  H331 PCF 71  
PCF H332 2H33 H 0  0 N N N -19.091 59.937 18.453 4.954  -10.723 -8.074  H332 PCF 72  
PCF H341 1H34 H 0  0 N N N -19.310 57.561 19.701 2.741  -11.626 -7.344  H341 PCF 73  
PCF H342 2H34 H 0  0 N N N -21.071 57.900 19.409 1.973  -10.847 -8.718  H342 PCF 74  
PCF H351 1H35 H 0  0 N N N -20.888 57.501 17.189 4.094  -13.042 -8.898  H351 PCF 75  
PCF H352 2H35 H 0  0 N N N -19.367 58.420 17.048 3.331  -12.262 -10.286 H352 PCF 76  
PCF H361 1H36 H 0  0 N N N -18.438 56.340 18.495 1.875  -13.875 -8.118  H361 PCF 77  
PCF H362 2H36 H 0  0 N N N -19.830 55.518 17.678 1.086  -13.045 -9.445  H362 PCF 78  
PCF H371 1H37 H 0  0 N N N -18.275 57.172 15.817 3.106  -15.308 -9.763  H371 PCF 79  
PCF H372 2H37 H 0  0 N N N -17.261 55.931 16.603 2.355  -14.430 -11.085 H372 PCF 80  
PCF H381 1H38 H 0  0 N N N -19.837 54.763 16.006 0.904  -16.153 -9.032  H381 PCF 81  
PCF H382 2H38 H 0  0 N N N -19.211 55.590 14.524 0.097  -15.271 -10.314 H382 PCF 82  
PCF H391 1H39 H 0  0 N N N -16.950 54.369 15.204 2.151  -17.517 -10.697 H391 PCF 83  
PCF H392 2H39 H 0  0 N N N -18.067 53.257 16.066 1.405  -16.619 -12.022 H392 PCF 84  
PCF H401 1H40 H 0  0 N N N -18.569 52.249 14.112 -0.859 -17.362 -11.260 H401 PCF 85  
PCF H402 2H40 H 0  0 N N N -19.188 53.822 13.472 -0.111 -18.301 -9.966  H402 PCF 86  
PCF H411 1H41 H 0  0 N N N -16.909 54.436 12.756 0.379  -18.702 -12.966 H411 PCF 87  
PCF H412 2H41 H 0  0 N N N -16.289 52.858 13.403 1.167  -19.616 -11.678 H412 PCF 88  
PCF H421 1H42 H 0  0 N N N -17.484 51.608 11.758 -1.114 -20.390 -10.885 H421 PCF 89  
PCF H422 2H42 H 0  0 N N N -18.449 53.041 11.260 -1.848 -19.504 -12.218 H422 PCF 90  
PCF H431 1H43 H 0  0 N N N -16.785 53.596 9.703  -0.592 -20.874 -13.850 H431 PCF 91  
PCF H432 2H43 H 0  0 N N N -15.617 53.766 10.901 0.107  -21.827 -12.546 H432 PCF 92  
PCF H221 1H22 H 0  0 N N N -17.244 60.810 17.207 3.368  -5.628  -2.797  H221 PCF 93  
PCF H222 2H22 H 0  0 N N N -18.066 62.194 16.359 5.016  -5.314  -2.288  H222 PCF 94  
PCF H231 1H23 H 0  0 N N N -17.036 61.710 14.423 4.345  -3.020  -1.516  H231 PCF 95  
PCF H232 2H23 H 0  0 N N N -15.425 61.679 15.223 2.699  -3.331  -2.046  H232 PCF 96  
PCF H241 1H24 H 0  0 N N N -15.748 59.368 15.917 2.494  -5.149  -0.343  H241 PCF 97  
PCF H242 2H24 H 0  0 N N N -17.451 59.390 15.306 4.167  -4.895  0.125   H242 PCF 98  
PCF H251 1H25 H 0  0 N N N -16.626 59.721 13.003 1.931  -2.827  0.394   H251 PCF 99  
PCF H252 2H25 H 0  0 N N N -14.925 59.702 13.610 3.611  -2.560  0.864   H252 PCF 100 
PCF H261 1H26 H 0  0 N N N -15.854 57.634 14.760 1.746  -4.700  2.033   H261 PCF 101 
PCF H262 2H26 H 0  0 N N N -16.307 57.881 12.646 3.434  -4.504  2.462   H262 PCF 102 
PCF H271 1H27 H 0  0 N N N ?       ?      ?      1.274  -2.394  2.892   H271 PCF 103 
PCF H272 2H27 H 0  0 N N N ?       ?      ?      2.977  -2.187  3.263   H272 PCF 104 
PCF H281 1H28 H 0  0 N N N ?       ?      ?      1.104  -4.219  4.548   H281 PCF 105 
PCF H282 2H28 H 0  0 N N N ?       ?      ?      2.808  -4.078  4.934   H282 PCF 106 
PCF H291 1H29 H 0  0 N N N ?       ?      ?      0.686  -1.904  5.358   H291 PCF 107 
PCF H292 2H29 H 0  0 N N N ?       ?      ?      2.403  -1.696  5.712   H292 PCF 108 
PCF H301 1H30 H 0  0 N N N ?       ?      ?      2.310  -3.607  7.324   H301 PCF 109 
PCF H302 2H30 H 0  0 N N N ?       ?      ?      0.581  -3.783  7.008   H302 PCF 110 
PCF H471 1H47 H 0  0 N N N ?       ?      ?      1.936  -1.275  8.139   H471 PCF 111 
PCF H472 2H47 H 0  0 N N N ?       ?      ?      0.214  -1.425  7.783   H472 PCF 112 
PCF H481 1H48 H 0  0 N N N ?       ?      ?      0.086  -3.363  9.415   H481 PCF 113 
PCF H482 2H48 H 0  0 N N N ?       ?      ?      1.795  -3.138  9.773   H482 PCF 114 
PCF H491 1H49 H 0  0 N N N ?       ?      ?      1.349  -0.839  10.569  H491 PCF 115 
PCF H492 2H49 H 0  0 N N N ?       ?      ?      -0.375 -1.052  10.289  H492 PCF 116 
PCF H501 1H50 H 0  0 N N N ?       ?      ?      -0.401 -2.947  11.941  H501 PCF 117 
PCF H502 2H50 H 0  0 N N N ?       ?      ?      1.324  -2.729  12.221  H502 PCF 118 
PCF H511 1H51 H 0  0 N N N ?       ?      ?      -0.895 -0.704  12.779  H511 PCF 119 
PCF H512 2H51 H 0  0 N N N ?       ?      ?      0.814  -0.375  13.041  H512 PCF 120 
PCF H521 1H52 H 0  0 N N N ?       ?      ?      -0.770 -2.598  14.443  H521 PCF 121 
PCF H522 2H52 H 0  0 N N N ?       ?      ?      -0.398 -1.011  15.136  H522 PCF 122 
PCF H523 3H52 H 0  0 N N N ?       ?      ?      0.911  -2.143  14.788  H523 PCF 123 
PCF H441 1H44 H 0  0 N N N ?       ?      ?      -2.197 -22.554 -11.853 H441 PCF 124 
PCF H442 2H44 H 0  0 N N N ?       ?      ?      -2.893 -21.602 -13.160 H442 PCF 125 
PCF H451 1H45 H 0  0 N N N ?       ?      ?      -0.987 -23.974 -13.433 H451 PCF 126 
PCF H452 2H45 H 0  0 N N N ?       ?      ?      -1.591 -23.045 -14.801 H452 PCF 127 
PCF H461 1H46 H 0  0 N N N ?       ?      ?      -3.357 -24.605 -12.835 H461 PCF 128 
PCF H462 2H46 H 0  0 N N N ?       ?      ?      -2.844 -25.179 -14.430 H462 PCF 129 
PCF H463 3H46 H 0  0 N N N ?       ?      ?      -3.914 -23.781 -14.306 H463 PCF 130 
# 
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 
PCF N   C12  SING N N 1   
PCF N   C13  SING N N 2   
PCF N   C14  SING N N 3   
PCF N   C15  SING N N 4   
PCF P   O11  SING N N 5   
PCF P   O12  DOUB N N 6   
PCF P   O13  SING N N 7   
PCF P   O14  SING N N 8   
PCF O11 C1   SING N N 9   
PCF O13 C11  SING N N 10  
PCF C11 C12  SING N N 11  
PCF C11 H111 SING N N 12  
PCF C11 H112 SING N N 13  
PCF C12 H121 SING N N 14  
PCF C12 H122 SING N N 15  
PCF C13 H131 SING N N 16  
PCF C13 H132 SING N N 17  
PCF C13 H133 SING N N 18  
PCF C14 H141 SING N N 19  
PCF C14 H142 SING N N 20  
PCF C14 H143 SING N N 21  
PCF C15 H151 SING N N 22  
PCF C15 H152 SING N N 23  
PCF C15 H153 SING N N 24  
PCF C1  C2   SING N N 25  
PCF C1  H11  SING N N 26  
PCF C1  H12  SING N N 27  
PCF C2  C3   SING N N 28  
PCF C2  O21  SING N N 29  
PCF C2  H21  SING N N 30  
PCF C3  O31  SING N N 31  
PCF C3  H31  SING N N 32  
PCF C3  H32  SING N N 33  
PCF O31 C31  SING N N 34  
PCF O32 C31  DOUB N N 35  
PCF C31 C32  SING N N 36  
PCF C32 C33  SING N N 37  
PCF C32 H321 SING N N 38  
PCF C32 H322 SING N N 39  
PCF C33 C34  SING N N 40  
PCF C33 H331 SING N N 41  
PCF C33 H332 SING N N 42  
PCF C34 C35  SING N N 43  
PCF C34 H341 SING N N 44  
PCF C34 H342 SING N N 45  
PCF C35 C36  SING N N 46  
PCF C35 H351 SING N N 47  
PCF C35 H352 SING N N 48  
PCF C36 C37  SING N N 49  
PCF C36 H361 SING N N 50  
PCF C36 H362 SING N N 51  
PCF C37 C38  SING N N 52  
PCF C37 H371 SING N N 53  
PCF C37 H372 SING N N 54  
PCF C38 C39  SING N N 55  
PCF C38 H381 SING N N 56  
PCF C38 H382 SING N N 57  
PCF C39 C40  SING N N 58  
PCF C39 H391 SING N N 59  
PCF C39 H392 SING N N 60  
PCF C40 C41  SING N N 61  
PCF C40 H401 SING N N 62  
PCF C40 H402 SING N N 63  
PCF C41 C42  SING N N 64  
PCF C41 H411 SING N N 65  
PCF C41 H412 SING N N 66  
PCF C42 C43  SING N N 67  
PCF C42 H421 SING N N 68  
PCF C42 H422 SING N N 69  
PCF C43 C44  SING N N 70  
PCF C43 H431 SING N N 71  
PCF C43 H432 SING N N 72  
PCF O21 C21  SING N N 73  
PCF O22 C21  DOUB N N 74  
PCF C21 C22  SING N N 75  
PCF C22 C23  SING N N 76  
PCF C22 H221 SING N N 77  
PCF C22 H222 SING N N 78  
PCF C23 C24  SING N N 79  
PCF C23 H231 SING N N 80  
PCF C23 H232 SING N N 81  
PCF C24 C25  SING N N 82  
PCF C24 H241 SING N N 83  
PCF C24 H242 SING N N 84  
PCF C25 C26  SING N N 85  
PCF C25 H251 SING N N 86  
PCF C25 H252 SING N N 87  
PCF C26 C27  SING N N 88  
PCF C26 H261 SING N N 89  
PCF C26 H262 SING N N 90  
PCF C27 C28  SING N N 91  
PCF C27 H271 SING N N 92  
PCF C27 H272 SING N N 93  
PCF C28 C29  SING N N 94  
PCF C28 H281 SING N N 95  
PCF C28 H282 SING N N 96  
PCF C29 C30  SING N N 97  
PCF C29 H291 SING N N 98  
PCF C29 H292 SING N N 99  
PCF C30 C47  SING N N 100 
PCF C30 H301 SING N N 101 
PCF C30 H302 SING N N 102 
PCF C47 C48  SING N N 103 
PCF C47 H471 SING N N 104 
PCF C47 H472 SING N N 105 
PCF C48 C49  SING N N 106 
PCF C48 H481 SING N N 107 
PCF C48 H482 SING N N 108 
PCF C49 C50  SING N N 109 
PCF C49 H491 SING N N 110 
PCF C49 H492 SING N N 111 
PCF C50 C51  SING N N 112 
PCF C50 H501 SING N N 113 
PCF C50 H502 SING N N 114 
PCF C51 C52  SING N N 115 
PCF C51 H511 SING N N 116 
PCF C51 H512 SING N N 117 
PCF C52 H521 SING N N 118 
PCF C52 H522 SING N N 119 
PCF C52 H523 SING N N 120 
PCF C44 C45  SING N N 121 
PCF C44 H441 SING N N 122 
PCF C44 H442 SING N N 123 
PCF C45 C46  SING N N 124 
PCF C45 H451 SING N N 125 
PCF C45 H452 SING N N 126 
PCF C46 H461 SING N N 127 
PCF C46 H462 SING N N 128 
PCF C46 H463 SING N N 129 
# 
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 
PCF SMILES           ACDLabs              10.04 O=C(OC(COP([O-])(=O)OCC[N+](C)(C)C)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC                                                                                                                     
PCF InChI            InChI                1.02b InChI=1/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3/t38-/m1/s1 
PCF InChIKey         InChI                1.02b KILNVBDSWZSGLL-KXQOOQHDBV                                                                                                                                                                     
PCF SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC                                                                                                               
PCF SMILES           CACTVS               3.341 CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC                                                                                                                
PCF SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC                                                                                                              
PCF SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC                                                                                                                     
# 
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 
PCF "SYSTEMATIC NAME" ACDLabs              10.04 "(2R)-2,3-bis(hexadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate"  
PCF "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R)-2,3-di(hexadecanoyloxy)propyl] 2-trimethylazaniumylethyl phosphate" 
# 
