data_P6L
# 
_chem_comp.id                                    P6L 
_chem_comp.name                                  "(2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C40 H75 O10 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2005-03-04 
_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                        746.991 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     P6L 
_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        1YOK 
_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 
P6L C1   C1   C 0 1 N N N 32.011 9.378  28.785 1.721   -4.330 -0.522 C1   P6L 1   
P6L C2   C2   C 0 1 N N R 32.820 9.562  27.501 3.047   -4.384 0.241  C2   P6L 2   
P6L O3   O3   O 0 1 N N N 32.683 10.905 27.151 4.019   -3.587 -0.437 O3   P6L 3   
P6L O4   O4   O 0 1 N N N 29.712 12.181 35.014 -2.986  0.289  -1.116 O4   P6L 4   
P6L C5   C5   C 0 1 N N S 31.020 11.894 34.554 -2.510  -0.177 -2.406 C5   P6L 5   
P6L C6   C6   C 0 1 N N N 31.695 11.209 35.737 -1.437  0.779  -2.930 C6   P6L 6   
P6L C7   C7   C 0 1 N N N 30.925 11.117 33.240 -1.914  -1.578 -2.253 C7   P6L 7   
P6L O8   O8   O 0 1 N N N 31.526 12.109 36.835 -0.279  0.735  -2.055 O8   P6L 8   
P6L O9   O9   O 0 1 N N N 32.117 10.844 32.450 -0.753  -1.514 -1.423 O9   P6L 9   
P6L O10  O10  O 0 1 N N N 30.229 10.511 30.886 0.052   -3.560 -2.662 O10  P6L 10  
P6L P11  P11  P 0 1 N N R 31.618 10.069 31.193 -0.180  -3.014 -1.307 P11  P6L 11  
P6L O12  O12  O 0 1 N N N 32.475 10.256 29.900 1.207   -2.997 -0.490 O12  P6L 12  
P6L O13  O13  O 0 1 N N N 31.561 8.600  31.510 -1.248  -3.937 -0.532 O13  P6L 13  
P6L C14  C14  C 0 1 N N N 29.261 13.475 35.064 -4.248  0.038  -0.735 C14  P6L 14  
P6L O15  O15  O 0 1 N N N 28.240 13.709 35.702 -4.988  -0.577 -1.466 O15  P6L 15  
P6L C16  C16  C 0 1 N N N 32.296 13.239 36.879 0.792   1.498  -2.320 C16  P6L 16  
P6L O17  O17  O 0 1 N N N 33.054 13.495 35.944 0.794   2.221  -3.288 O17  P6L 17  
P6L C18  C18  C 0 1 N N N 30.023 14.595 34.369 -4.742  0.522  0.604  C18  P6L 18  
P6L C19  C19  C 0 1 N N N 29.193 15.865 34.202 -6.202  0.106  0.790  C19  P6L 19  
P6L C20  C20  C 0 1 N N N 27.888 15.556 33.496 -6.704  0.597  2.149  C20  P6L 20  
P6L C21  C21  C 0 1 N N N 27.021 16.782 33.321 -8.164  0.182  2.335  C21  P6L 21  
P6L C22  C22  C 0 1 N N N 25.656 16.368 32.804 -8.658  0.666  3.674  C22  P6L 22  
P6L C23  C23  C 0 1 N N N 24.823 17.560 32.369 -9.761  1.369  3.750  C23  P6L 23  
P6L C24  C24  C 0 1 N N N 25.513 18.321 31.256 -10.625 1.549  2.529  C24  P6L 24  
P6L C25  C25  C 0 1 N N N 26.131 17.362 30.257 -12.058 1.121  2.851  C25  P6L 25  
P6L C26  C26  C 0 1 N N N 26.748 18.081 29.064 -12.936 1.304  1.611  C26  P6L 26  
P6L C27  C27  C 0 1 N N N 32.189 14.173 38.082 1.994   1.452  -1.412 C27  P6L 27  
P6L C28  C28  C 0 1 N N N 31.076 15.228 37.962 3.067   2.408  -1.936 C28  P6L 28  
P6L C29  C29  C 0 1 N N N 31.305 16.220 36.813 4.287   2.361  -1.014 C29  P6L 29  
P6L C30  C30  C 0 1 N N N 30.689 17.588 37.130 5.359   3.318  -1.538 C30  P6L 30  
P6L C31  C31  C 0 1 N N N 30.561 18.502 35.899 6.579   3.271  -0.616 C31  P6L 31  
P6L C32  C32  C 0 1 N N N 30.197 19.923 36.326 7.652   4.228  -1.140 C32  P6L 32  
P6L C33  C33  C 0 1 N N N 29.534 20.722 35.217 8.854   4.182  -0.232 C33  P6L 33  
P6L C34  C34  C 0 1 N N N 28.212 20.094 34.818 10.038  3.914  -0.725 C34  P6L 34  
P6L C35  C35  C 0 1 N N N 27.170 21.140 34.432 11.239  3.868  0.184  C35  P6L 35  
P6L C36  C36  C 0 1 N N N 27.636 22.022 33.280 11.945  2.519  0.028  C36  P6L 36  
P6L C37  C37  C 0 1 N N N 27.716 19.191 29.468 -14.369 0.875  1.932  C37  P6L 37  
P6L C38  C38  C 0 1 N N N 26.598 23.093 32.962 13.164  2.473  0.951  C38  P6L 38  
P6L C39  C39  C 0 1 N N N 25.367 22.512 32.288 13.870  1.124  0.795  C39  P6L 39  
P6L C40  C40  C 0 1 N N N 25.630 22.238 30.818 15.090  1.077  1.717  C40  P6L 40  
P6L C41  C41  C 0 1 N N N 24.420 21.623 30.139 15.795  -0.272 1.562  C41  P6L 41  
P6L C42  C42  C 0 1 N N N 24.641 21.527 28.640 17.015  -0.318 2.484  C42  P6L 42  
P6L C43  C43  C 0 1 N N N 23.552 20.716 27.963 17.721  -1.667 2.328  C43  P6L 43  
P6L C44  C44  C 0 1 N N N 23.641 19.276 28.412 18.941  -1.714 3.251  C44  P6L 44  
P6L C45  C45  C 0 1 N N N 28.785 18.722 30.444 -15.247 1.059  0.692  C45  P6L 45  
P6L C46  C46  C 0 1 N N N 29.951 19.704 30.473 -16.680 0.630  1.014  C46  P6L 46  
P6L C47  C47  C 0 1 N N N 29.490 21.137 30.652 -17.557 0.814  -0.226 C47  P6L 47  
P6L C48  C48  C 0 1 N N N 30.661 22.086 30.540 -18.990 0.385  0.095  C48  P6L 48  
P6L C49  C49  C 0 1 N N N 31.732 21.641 31.510 -19.868 0.568  -1.144 C49  P6L 49  
P6L C50  C50  C 0 1 N N N 32.423 8.688  26.313 3.535   -5.832 0.313  C50  P6L 50  
P6L O51  O51  O 0 1 N N N 33.264 9.005  25.216 4.710   -5.899 1.124  O51  P6L 51  
P6L H11  1H1  H 0 1 N N N 30.922 9.521  28.592 1.006   -5.007 -0.055 H11  P6L 52  
P6L H12  2H1  H 0 1 N N N 32.001 8.308  29.099 1.885   -4.631 -1.557 H12  P6L 53  
P6L H2   H2   H 0 1 N N N 33.865 9.243  27.723 2.901   -3.999 1.250  H2   P6L 54  
P6L HO3  HO3  H 0 1 N N N 33.185 11.019 26.353 4.118   -3.960 -1.324 HO3  P6L 55  
P6L H5   H5   H 0 1 N N N 31.650 12.769 34.273 -3.342  -0.211 -3.109 H5   P6L 56  
P6L H61  1H6  H 0 1 N N N 31.318 10.178 35.936 -1.835  1.794  -2.955 H61  P6L 57  
P6L H62  2H6  H 0 1 N N N 32.756 10.923 35.547 -1.144  0.480  -3.936 H62  P6L 58  
P6L H71  1H7  H 0 1 N N N 30.413 10.147 33.445 -2.651  -2.239 -1.797 H71  P6L 59  
P6L H72  2H7  H 0 1 N N N 30.183 11.630 32.584 -1.638  -1.964 -3.235 H72  P6L 60  
P6L H13  H13  H 0 1 N N N 31.256 8.127  30.743 -1.370  -3.548 0.345  H13  P6L 61  
P6L H181 1H18 H 0 0 N N N 30.981 14.811 34.896 -4.135  0.082  1.396  H181 P6L 62  
P6L H182 2H18 H 0 0 N N N 30.428 14.252 33.388 -4.665  1.608  0.649  H182 P6L 63  
P6L H191 1H19 H 0 0 N N N 29.025 16.382 35.175 -6.809  0.546  -0.002 H191 P6L 64  
P6L H192 2H19 H 0 0 N N N 29.765 16.669 33.683 -6.279  -0.980 0.745  H192 P6L 65  
P6L H201 1H20 H 0 0 N N N 28.070 15.050 32.519 -6.097  0.157  2.941  H201 P6L 66  
P6L H202 2H20 H 0 0 N N N 27.332 14.742 34.017 -6.627  1.684  2.194  H202 P6L 67  
P6L H211 1H21 H 0 0 N N N 26.951 17.385 34.255 -8.771  0.622  1.543  H211 P6L 68  
P6L H212 2H21 H 0 0 N N N 27.502 17.549 32.670 -8.241  -0.905 2.290  H212 P6L 69  
P6L H22  H22  H 0 1 N N N 25.309 15.322 32.750 -8.103  0.433  4.570  H22  P6L 70  
P6L H23  H23  H 0 1 N N N 23.847 17.836 32.803 -10.051 1.818  4.688  H23  P6L 71  
P6L H241 1H24 H 0 0 N N N 24.825 19.046 30.762 -10.618 2.598  2.231  H241 P6L 72  
P6L H242 2H24 H 0 0 N N N 26.262 19.045 31.652 -10.237 0.937  1.715  H242 P6L 73  
P6L H251 1H25 H 0 0 N N N 26.873 16.692 30.750 -12.066 0.072  3.149  H251 P6L 74  
P6L H252 2H25 H 0 0 N N N 25.391 16.596 29.925 -12.447 1.733  3.665  H252 P6L 75  
P6L H261 1H26 H 0 0 N N N 27.240 17.356 28.374 -12.929 2.352  1.312  H261 P6L 76  
P6L H262 2H26 H 0 0 N N N 25.956 18.472 28.383 -12.547 0.692  0.797  H262 P6L 77  
P6L H271 1H27 H 0 0 N N N 32.071 13.586 39.022 2.392   0.437  -1.388 H271 P6L 78  
P6L H272 2H27 H 0 0 N N N 33.170 14.661 38.285 1.700   1.751  -0.406 H272 P6L 79  
P6L H281 1H28 H 0 0 N N N 30.076 14.742 37.873 2.669   3.423  -1.961 H281 P6L 80  
P6L H282 2H28 H 0 0 N N N 30.933 15.765 38.928 3.360   2.109  -2.942 H282 P6L 81  
P6L H291 1H29 H 0 0 N N N 32.386 16.307 36.556 4.685   1.347  -0.989 H291 P6L 82  
P6L H292 2H29 H 0 0 N N N 30.931 15.817 35.843 3.993   2.661  -0.008 H292 P6L 83  
P6L H301 1H30 H 0 0 N N N 29.703 17.469 37.638 4.961   4.332  -1.563 H301 P6L 84  
P6L H302 2H30 H 0 0 N N N 31.256 18.097 37.943 5.653   3.019  -2.544 H302 P6L 85  
P6L H311 1H31 H 0 0 N N N 31.480 18.480 35.268 6.978   2.257  -0.591 H311 P6L 86  
P6L H312 2H31 H 0 0 N N N 29.839 18.095 35.152 6.286   3.571  0.390  H312 P6L 87  
P6L H321 1H32 H 0 0 N N N 29.564 19.913 37.243 7.254   5.242  -1.165 H321 P6L 88  
P6L H322 2H32 H 0 0 N N N 31.088 20.459 36.725 7.946   3.928  -2.146 H322 P6L 89  
P6L H33  H33  H 0 1 N N N 29.955 21.634 34.762 8.739   4.369  0.826  H33  P6L 90  
P6L H34  H34  H 0 1 N N N 28.030 19.006 34.809 10.153  3.727  -1.782 H34  P6L 91  
P6L H351 1H35 H 0 0 N N N 26.187 20.664 34.203 10.918  3.993  1.218  H351 P6L 92  
P6L H352 2H35 H 0 0 N N N 26.869 21.753 35.313 11.927  4.671  -0.082 H352 P6L 93  
P6L H361 1H36 H 0 0 N N N 28.638 22.466 33.480 12.266  2.395  -1.006 H361 P6L 94  
P6L H362 2H36 H 0 0 N N N 27.896 21.419 32.378 11.257  1.717  0.294  H362 P6L 95  
P6L H371 1H37 H 0 0 N N N 28.177 19.663 28.569 -14.376 -0.173 2.230  H371 P6L 96  
P6L H372 2H37 H 0 0 N N N 27.165 20.071 29.874 -14.758 1.487  2.746  H372 P6L 97  
P6L H381 1H38 H 0 0 N N N 26.323 23.673 33.873 12.843  2.597  1.985  H381 P6L 98  
P6L H382 2H38 H 0 0 N N N 27.040 23.917 32.354 13.852  3.275  0.684  H382 P6L 99  
P6L H391 1H39 H 0 0 N N N 24.999 21.601 32.816 14.191  0.999  -0.239 H391 P6L 100 
P6L H392 2H39 H 0 0 N N N 24.473 23.163 32.431 13.182  0.321  1.061  H392 P6L 101 
P6L H401 1H40 H 0 0 N N N 25.971 23.157 30.287 14.769  1.202  2.751  H401 P6L 102 
P6L H402 2H40 H 0 0 N N N 26.539 21.608 30.677 15.778  1.880  1.451  H402 P6L 103 
P6L H411 1H41 H 0 0 N N N 24.153 20.635 30.582 16.117  -0.396 0.527  H411 P6L 104 
P6L H412 2H41 H 0 0 N N N 23.482 22.174 30.384 15.108  -1.074 1.828  H412 P6L 105 
P6L H421 1H42 H 0 0 N N N 24.742 22.536 28.178 16.694  -0.194 3.518  H421 P6L 106 
P6L H422 2H42 H 0 0 N N N 25.653 21.125 28.403 17.703  0.484  2.218  H422 P6L 107 
P6L H431 1H43 H 0 0 N N N 22.538 21.148 28.132 18.042  -1.792 1.294  H431 P6L 108 
P6L H432 2H43 H 0 0 N N N 23.583 20.813 26.852 17.033  -2.470 2.594  H432 P6L 109 
P6L H441 1H44 H 0 0 N N N 22.840 18.680 27.914 18.619  -1.589 4.285  H441 P6L 110 
P6L H442 2H44 H 0 0 N N N 24.654 18.844 28.242 19.443  -2.675 3.140  H442 P6L 111 
P6L H443 3H44 H 0 0 N N N 23.609 19.178 29.522 19.628  -0.911 2.984  H443 P6L 112 
P6L H451 1H45 H 0 0 N N N 28.367 18.544 31.462 -15.239 2.107  0.394  H451 P6L 113 
P6L H452 2H45 H 0 0 N N N 29.123 17.683 30.220 -14.858 0.447  -0.122 H452 P6L 114 
P6L H461 1H46 H 0 0 N N N 30.697 19.420 31.251 -16.687 -0.418 1.312  H461 P6L 115 
P6L H462 2H46 H 0 0 N N N 30.590 19.596 29.566 -17.068 1.242  1.828  H462 P6L 116 
P6L H471 1H47 H 0 0 N N N 28.672 21.401 29.941 -17.550 1.862  -0.524 H471 P6L 117 
P6L H472 2H47 H 0 0 N N N 28.932 21.277 31.607 -17.169 0.201  -1.040 H472 P6L 118 
P6L H481 1H48 H 0 0 N N N 31.040 22.176 29.495 -18.997 -0.664 0.394  H481 P6L 119 
P6L H482 2H48 H 0 0 N N N 30.365 23.150 30.687 -19.379 0.997  0.909  H482 P6L 120 
P6L H491 1H49 H 0 0 N N N 32.595 22.341 31.427 -20.889 0.263  -0.915 H491 P6L 121 
P6L H492 2H49 H 0 0 N N N 31.352 21.550 32.554 -19.860 1.617  -1.443 H492 P6L 122 
P6L H493 3H49 H 0 0 N N N 32.028 20.576 31.362 -19.479 -0.044 -1.958 H493 P6L 123 
P6L H501 1H50 H 0 0 N N N 32.434 7.600  26.559 2.756   -6.457 0.751  H501 P6L 124 
P6L H502 2H50 H 0 0 N N N 31.340 8.776  26.060 3.766   -6.189 -0.691 H502 P6L 125 
P6L H51  H51  H 0 1 N N N 33.017 8.461  24.477 4.984   -6.826 1.143  H51  P6L 126 
# 
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 
P6L C1  C2   SING N N 1   
P6L C1  O12  SING N N 2   
P6L C1  H11  SING N N 3   
P6L C1  H12  SING N N 4   
P6L C2  O3   SING N N 5   
P6L C2  C50  SING N N 6   
P6L C2  H2   SING N N 7   
P6L O3  HO3  SING N N 8   
P6L O4  C5   SING N N 9   
P6L O4  C14  SING N N 10  
P6L C5  C6   SING N N 11  
P6L C5  C7   SING N N 12  
P6L C5  H5   SING N N 13  
P6L C6  O8   SING N N 14  
P6L C6  H61  SING N N 15  
P6L C6  H62  SING N N 16  
P6L C7  O9   SING N N 17  
P6L C7  H71  SING N N 18  
P6L C7  H72  SING N N 19  
P6L O8  C16  SING N N 20  
P6L O9  P11  SING N N 21  
P6L O10 P11  DOUB N N 22  
P6L P11 O12  SING N N 23  
P6L P11 O13  SING N N 24  
P6L O13 H13  SING N N 25  
P6L C14 O15  DOUB N N 26  
P6L C14 C18  SING N N 27  
P6L C16 O17  DOUB N N 28  
P6L C16 C27  SING N N 29  
P6L C18 C19  SING N N 30  
P6L C18 H181 SING N N 31  
P6L C18 H182 SING N N 32  
P6L C19 C20  SING N N 33  
P6L C19 H191 SING N N 34  
P6L C19 H192 SING N N 35  
P6L C20 C21  SING N N 36  
P6L C20 H201 SING N N 37  
P6L C20 H202 SING N N 38  
P6L C21 C22  SING N N 39  
P6L C21 H211 SING N N 40  
P6L C21 H212 SING N N 41  
P6L C22 C23  DOUB N Z 42  
P6L C22 H22  SING N N 43  
P6L C23 C24  SING N N 44  
P6L C23 H23  SING N N 45  
P6L C24 C25  SING N N 46  
P6L C24 H241 SING N N 47  
P6L C24 H242 SING N N 48  
P6L C25 C26  SING N N 49  
P6L C25 H251 SING N N 50  
P6L C25 H252 SING N N 51  
P6L C26 C37  SING N N 52  
P6L C26 H261 SING N N 53  
P6L C26 H262 SING N N 54  
P6L C27 C28  SING N N 55  
P6L C27 H271 SING N N 56  
P6L C27 H272 SING N N 57  
P6L C28 C29  SING N N 58  
P6L C28 H281 SING N N 59  
P6L C28 H282 SING N N 60  
P6L C29 C30  SING N N 61  
P6L C29 H291 SING N N 62  
P6L C29 H292 SING N N 63  
P6L C30 C31  SING N N 64  
P6L C30 H301 SING N N 65  
P6L C30 H302 SING N N 66  
P6L C31 C32  SING N N 67  
P6L C31 H311 SING N N 68  
P6L C31 H312 SING N N 69  
P6L C32 C33  SING N N 70  
P6L C32 H321 SING N N 71  
P6L C32 H322 SING N N 72  
P6L C33 C34  DOUB N E 73  
P6L C33 H33  SING N N 74  
P6L C34 C35  SING N N 75  
P6L C34 H34  SING N N 76  
P6L C35 C36  SING N N 77  
P6L C35 H351 SING N N 78  
P6L C35 H352 SING N N 79  
P6L C36 C38  SING N N 80  
P6L C36 H361 SING N N 81  
P6L C36 H362 SING N N 82  
P6L C37 C45  SING N N 83  
P6L C37 H371 SING N N 84  
P6L C37 H372 SING N N 85  
P6L C38 C39  SING N N 86  
P6L C38 H381 SING N N 87  
P6L C38 H382 SING N N 88  
P6L C39 C40  SING N N 89  
P6L C39 H391 SING N N 90  
P6L C39 H392 SING N N 91  
P6L C40 C41  SING N N 92  
P6L C40 H401 SING N N 93  
P6L C40 H402 SING N N 94  
P6L C41 C42  SING N N 95  
P6L C41 H411 SING N N 96  
P6L C41 H412 SING N N 97  
P6L C42 C43  SING N N 98  
P6L C42 H421 SING N N 99  
P6L C42 H422 SING N N 100 
P6L C43 C44  SING N N 101 
P6L C43 H431 SING N N 102 
P6L C43 H432 SING N N 103 
P6L C44 H441 SING N N 104 
P6L C44 H442 SING N N 105 
P6L C44 H443 SING N N 106 
P6L C45 C46  SING N N 107 
P6L C45 H451 SING N N 108 
P6L C45 H452 SING N N 109 
P6L C46 C47  SING N N 110 
P6L C46 H461 SING N N 111 
P6L C46 H462 SING N N 112 
P6L C47 C48  SING N N 113 
P6L C47 H471 SING N N 114 
P6L C47 H472 SING N N 115 
P6L C48 C49  SING N N 116 
P6L C48 H481 SING N N 117 
P6L C48 H482 SING N N 118 
P6L C49 H491 SING N N 119 
P6L C49 H492 SING N N 120 
P6L C49 H493 SING N N 121 
P6L C50 O51  SING N N 122 
P6L C50 H501 SING N N 123 
P6L C50 H502 SING N N 124 
P6L O51 H51  SING N N 125 
# 
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 
P6L SMILES           ACDLabs              10.04 O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCC/C=C/CCCCCCCCC)CCCC\C=C/CCCCCCCCC 
P6L InChI            InChI                1.02b 
;InChI=1/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h18,20,22,24,37-38,41-42H,3-17,19,21,23,25-36H2,1-2H3,(H,45,46)/b20-18+,24-22-/t37-,38+/m1/s1/f/h45H
;
P6L InChIKey         InChI                1.02b WLVNRDXLPAAELE-CKSSFTLGDG 
P6L SMILES_CANONICAL CACTVS               3.341 CCCCCCCCC/C=C/CCCCCCC(=O)OC[C@@H](CO[P@@](O)(=O)OC[C@H](O)CO)OC(=O)CCCC\C=C/CCCCCCCCC 
P6L SMILES           CACTVS               3.341 CCCCCCCCCC=CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCC=CCCCCCCCCC 
P6L SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCC=CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCC=CCCCCCCCCC 
P6L SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCC=CCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCC=CCCCCCCCCC 
# 
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 
P6L "SYSTEMATIC NAME" ACDLabs              10.04 "(2S)-3-{[(R)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6Z)-hexadec-6-enoyloxy]propyl (8E)-octadec-8-enoate" 
P6L "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2S)-3-[[(2R)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl]oxy-2-hexadec-6-enoyloxy-propyl] octadec-8-enoate"                    
# 
