data_PGT
# 
_chem_comp.id                                    PGT 
_chem_comp.name                                  "(1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C40 H79 O10 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "PHOSPHATIDYLGLYCEROL; 1-PALMITOYL-2-OLEOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)](SODIUM SALT)" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2006-07-06 
_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                        751.023 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     PGT 
_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        ? 
_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 
PGT C48  C48  C 0 1 N N N 62.883 66.248 73.484 -21.492 5.551  1.875  C48  PGT 1   
PGT C47  C47  C 0 1 N N N 64.349 66.013 73.784 -20.665 4.375  1.352  C47  PGT 2   
PGT C46  C46  C 0 1 N N N 64.768 64.620 73.387 -19.177 4.722  1.435  C46  PGT 3   
PGT C45  C45  C 0 1 N N N 66.285 64.488 73.381 -18.349 3.546  0.912  C45  PGT 4   
PGT C44  C44  C 0 1 N N N 66.732 63.300 72.537 -16.861 3.894  0.995  C44  PGT 5   
PGT C43  C43  C 0 1 N N N 68.227 63.000 72.709 -16.034 2.718  0.473  C43  PGT 6   
PGT C42  C42  C 0 1 N N N 69.115 63.815 71.756 -14.546 3.065  0.555  C42  PGT 7   
PGT C41  C41  C 0 1 N N N 70.553 63.301 71.803 -13.718 1.889  0.033  C41  PGT 8   
PGT C40  C40  C 0 1 N N N 71.375 63.825 70.625 -12.230 2.236  0.115  C40  PGT 9   
PGT C39  C39  C 0 1 N N N 72.705 63.077 70.541 -11.402 1.060  -0.407 C39  PGT 10  
PGT C38  C38  C 0 1 N N N 73.457 63.378 69.251 -9.915  1.407  -0.325 C38  PGT 11  
PGT C37  C37  C 0 1 N N N 74.277 64.651 69.396 -9.087  0.231  -0.847 C37  PGT 12  
PGT C36  C36  C 0 1 N N N 75.197 64.893 68.199 -7.599  0.578  -0.765 C36  PGT 13  
PGT C35  C35  C 0 1 N N N 75.511 66.392 68.055 -6.771  -0.598 -1.287 C35  PGT 14  
PGT C34  C34  C 0 1 N N N 76.983 66.686 67.799 -5.284  -0.251 -1.205 C34  PGT 15  
PGT C33  C33  C 0 1 N N N 77.773 66.675 69.105 -4.456  -1.427 -1.727 C33  PGT 16  
PGT C32  C32  C 0 1 N N N 77.799 65.278 69.756 -2.968  -1.080 -1.645 C32  PGT 17  
PGT C31  C31  C 0 1 N N N 79.154 64.910 70.388 -2.153  -2.238 -2.159 C31  PGT 18  
PGT O31  O31  O 0 1 N N N 79.465 63.728 70.537 -2.705  -3.239 -2.552 O31  PGT 19  
PGT O2   O2   O 0 1 N N N 80.024 65.890 70.785 -0.813  -2.158 -2.182 O2   PGT 20  
PGT C2   C2   C 0 1 N N S 80.074 66.095 72.230 -0.027  -3.274 -2.678 C2   PGT 21  
PGT C1   C1   C 0 1 N N N 78.672 66.447 72.798 0.304   -4.219 -1.520 C1   PGT 22  
PGT O3P  O3P  O 0 1 N N N 78.719 66.968 74.153 1.149   -3.547 -0.585 O3P  PGT 23  
PGT P    P    P 0 1 N N S 78.386 66.072 75.495 1.456   -4.594 0.600  P    PGT 24  
PGT O1P  O1P  O 0 1 N N N 79.475 65.097 75.680 0.180   -5.094 1.159  O1P  PGT 25  
PGT O2P  O2P  O 0 1 N N N 78.052 67.001 76.601 2.307   -5.830 0.017  O2P  PGT 26  
PGT O4P  O4P  O 0 1 N N N 77.043 65.261 75.077 2.300   -3.861 1.759  O4P  PGT 27  
PGT C4   C4   C 0 1 N N N 76.894 63.832 75.233 2.437   -4.801 2.827  C4   PGT 28  
PGT C5   C5   C 0 1 N N R 75.759 63.311 74.339 3.234   -4.164 3.967  C5   PGT 29  
PGT O5   O5   O 0 1 N N N 74.865 62.531 75.129 4.566   -3.895 3.525  O5   PGT 30  
PGT C6   C6   C 0 1 N N N 76.341 62.491 73.174 3.275   -5.123 5.158  C6   PGT 31  
PGT O6   O6   O 0 1 N N N 75.717 61.204 73.079 3.918   -4.483 6.263  O6   PGT 32  
PGT C3   C3   C 0 1 N N N 81.161 67.136 72.562 1.270   -2.750 -3.295 C3   PGT 33  
PGT O3   O3   O 0 1 N N N 82.465 66.588 72.933 2.085   -2.136 -2.262 O3   PGT 34  
PGT C11  C11  C 0 1 N N N 82.481 65.873 74.108 3.277   -1.604 -2.574 C11  PGT 35  
PGT O11  O11  O 0 1 N N N 81.989 66.344 75.136 3.672   -1.635 -3.716 O11  PGT 36  
PGT C12  C12  C 0 1 N N N 83.147 64.481 74.129 4.122   -0.966 -1.502 C12  PGT 37  
PGT C13  C13  C 0 1 N N N 82.335 63.424 74.897 5.420   -0.442 -2.119 C13  PGT 38  
PGT C14  C14  C 0 1 N N N 82.124 62.151 74.059 6.278   0.205  -1.030 C14  PGT 39  
PGT C15  C15  C 0 1 N N N 80.836 61.404 74.451 7.576   0.729  -1.648 C15  PGT 40  
PGT C16  C16  C 0 1 N N N 80.478 60.305 73.439 8.434   1.376  -0.559 C16  PGT 41  
PGT C17  C17  C 0 1 N N N 80.290 58.944 74.136 9.732   1.900  -1.176 C17  PGT 42  
PGT C18  C18  C 0 1 N N N 79.403 57.988 73.308 10.590  2.547  -0.087 C18  PGT 43  
PGT C19  C19  C 0 1 N N N 79.398 56.552 73.881 11.888  3.071  -0.705 C19  PGT 44  
PGT C20  C20  C 0 1 N N N 79.800 55.503 72.828 12.746  3.718  0.384  C20  PGT 45  
PGT C21  C21  C 0 1 N N N 81.303 55.567 72.516 14.044  4.243  -0.234 C21  PGT 46  
PGT C22  C22  C 0 1 N N N 81.759 54.444 71.562 14.902  4.890  0.856  C22  PGT 47  
PGT C23  C23  C 0 1 N N N 81.925 54.958 70.124 16.200  5.414  0.238  C23  PGT 48  
PGT C24  C24  C 0 1 N N N 82.271 53.825 69.160 17.058  6.061  1.327  C24  PGT 49  
PGT C25  C25  C 0 1 N N N 81.793 54.137 67.742 18.356  6.585  0.709  C25  PGT 50  
PGT C26  C26  C 0 1 N N N 81.815 52.831 66.861 19.214  7.232  1.798  C26  PGT 51  
PGT H481 1H48 H 0 0 N N N 62.496 65.417 72.876 -21.291 6.435  1.269  H481 PGT 52  
PGT H482 2H48 H 0 0 N N N 62.769 67.192 72.931 -22.552 5.304  1.816  H482 PGT 53  
PGT H483 3H48 H 0 0 N N N 62.320 66.305 74.427 -21.223 5.753  2.912  H483 PGT 54  
PGT H471 1H47 H 0 0 N N N 64.508 66.132 74.866 -20.866 3.492  1.958  H471 PGT 55  
PGT H472 2H47 H 0 0 N N N 64.950 66.741 73.219 -20.934 4.174  0.316  H472 PGT 56  
PGT H461 1H46 H 0 0 N N N 64.393 64.416 72.373 -18.976 5.606  0.829  H461 PGT 57  
PGT H462 2H46 H 0 0 N N N 64.349 63.902 74.107 -18.908 4.924  2.472  H462 PGT 58  
PGT H451 1H45 H 0 0 N N N 66.626 64.330 74.415 -18.550 2.663  1.518  H451 PGT 59  
PGT H452 2H45 H 0 0 N N N 66.721 65.407 72.962 -18.618 3.345  -0.124 H452 PGT 60  
PGT H441 1H44 H 0 0 N N N 66.554 63.547 71.480 -16.660 4.777  0.389  H441 PGT 61  
PGT H442 2H44 H 0 0 N N N 66.158 62.414 72.846 -16.592 4.095  2.032  H442 PGT 62  
PGT H431 1H43 H 0 0 N N N 68.381 61.936 72.477 -16.235 1.834  1.078  H431 PGT 63  
PGT H432 2H43 H 0 0 N N N 68.512 63.245 73.743 -16.303 2.516  -0.564 H432 PGT 64  
PGT H421 1H42 H 0 0 N N N 69.101 64.870 72.067 -14.345 3.948  -0.051 H421 PGT 65  
PGT H422 2H42 H 0 0 N N N 68.729 63.718 70.730 -14.277 3.266  1.592  H422 PGT 66  
PGT H411 1H41 H 0 0 N N N 70.530 62.203 71.747 -13.919 1.005  0.639  H411 PGT 67  
PGT H412 2H41 H 0 0 N N N 71.020 63.640 72.740 -13.987 1.687  -1.004 H412 PGT 68  
PGT H401 1H40 H 0 0 N N N 71.572 64.897 70.771 -12.029 3.119  -0.491 H401 PGT 69  
PGT H402 2H40 H 0 0 N N N 70.812 63.671 69.692 -11.961 2.437  1.152  H402 PGT 70  
PGT H391 1H39 H 0 0 N N N 72.488 61.999 70.562 -11.604 0.176  0.199  H391 PGT 71  
PGT H392 2H39 H 0 0 N N N 73.333 63.383 71.391 -11.672 0.858  -1.444 H392 PGT 72  
PGT H381 1H38 H 0 0 N N N 72.729 63.514 68.438 -9.714  2.290  -0.931 H381 PGT 73  
PGT H382 2H38 H 0 0 N N N 74.131 62.539 69.023 -9.645  1.608  0.712  H382 PGT 74  
PGT H371 1H37 H 0 0 N N N 74.909 64.544 70.290 -9.288  -0.653 -0.241 H371 PGT 75  
PGT H372 2H37 H 0 0 N N N 73.586 65.503 69.483 -9.356  0.029  -1.884 H372 PGT 76  
PGT H361 1H36 H 0 0 N N N 74.692 64.545 67.286 -7.398  1.461  -1.371 H361 PGT 77  
PGT H362 2H36 H 0 0 N N N 76.136 64.341 68.349 -7.330  0.780  0.272  H362 PGT 78  
PGT H351 1H35 H 0 0 N N N 75.245 66.872 69.008 -6.972  -1.481 -0.681 H351 PGT 79  
PGT H352 2H35 H 0 0 N N N 74.932 66.782 67.205 -7.041  -0.800 -2.324 H352 PGT 80  
PGT H341 1H34 H 0 0 N N N 77.070 67.683 67.342 -5.082  0.633  -1.811 H341 PGT 81  
PGT H342 2H34 H 0 0 N N N 77.391 65.917 67.127 -5.014  -0.049 -0.168 H342 PGT 82  
PGT H331 1H33 H 0 0 N N N 77.282 67.367 69.805 -4.657  -2.310 -1.121 H331 PGT 83  
PGT H332 2H33 H 0 0 N N N 78.808 66.982 68.892 -4.725  -1.629 -2.764 H332 PGT 84  
PGT H321 1H32 H 0 0 N N N 77.607 64.547 68.957 -2.767  -0.196 -2.251 H321 PGT 85  
PGT H322 2H32 H 0 0 N N N 77.037 65.258 70.549 -2.699  -0.878 -0.608 H322 PGT 86  
PGT H2   H2   H 0 1 N N N 80.359 65.159 72.732 -0.598  -3.813 -3.434 H2   PGT 87  
PGT H11  1H1  H 0 1 N N N 78.084 65.518 72.823 -0.618  -4.523 -1.024 H11  PGT 88  
PGT H12  2H1  H 0 1 N N N 78.220 67.212 72.150 0.816   -5.100 -1.906 H12  PGT 89  
PGT HO2P HO2P H 0 0 N N N 77.981 66.514 77.414 3.128   -5.462 -0.337 HO2P PGT 90  
PGT H41  1H4  H 0 1 N N N 76.652 63.611 76.283 1.450   -5.086 3.189  H41  PGT 91  
PGT H42  2H4  H 0 1 N N N 77.834 63.338 74.947 2.962   -5.685 2.467  H42  PGT 92  
PGT H5   H5   H 0 1 N N N 75.201 64.155 73.907 2.756   -3.231 4.267  H5   PGT 93  
PGT HO5  HO5  H 0 1 N N N 75.259 62.357 75.976 4.952   -4.744 3.269  HO5  PGT 94  
PGT H61  1H6  H 0 1 N N N 77.416 62.344 73.355 2.258   -5.397 5.439  H61  PGT 95  
PGT H62  2H6  H 0 1 N N N 76.172 63.038 72.235 3.831   -6.019 4.884  H62  PGT 96  
PGT HO6  HO6  H 0 1 N N N 75.579 60.985 72.165 3.923   -5.120 6.990  HO6  PGT 97  
PGT H31  1H3  H 0 1 N N N 80.799 67.686 73.443 1.818   -3.577 -3.746 H31  PGT 98  
PGT H32  2H3  H 0 1 N N N 81.306 67.759 71.668 1.036   -2.010 -4.060 H32  PGT 99  
PGT H121 1H12 H 0 0 N N N 84.112 64.589 74.646 3.574   -0.139 -1.051 H121 PGT 100 
PGT H122 2H12 H 0 0 N N N 83.258 64.139 73.090 4.357   -1.707 -0.737 H122 PGT 101 
PGT H131 1H13 H 0 0 N N N 81.348 63.850 75.131 5.968   -1.269 -2.570 H131 PGT 102 
PGT H132 2H13 H 0 0 N N N 82.880 63.157 75.814 5.185   0.298  -2.884 H132 PGT 103 
PGT H141 1H14 H 0 0 N N N 82.975 61.479 74.243 5.730   1.032  -0.579 H141 PGT 104 
PGT H142 2H14 H 0 0 N N N 82.055 62.437 72.999 6.513   -0.535 -0.265 H142 PGT 105 
PGT H151 1H15 H 0 0 N N N 80.012 62.132 74.470 8.124   -0.098 -2.099 H151 PGT 106 
PGT H152 2H15 H 0 0 N N N 80.985 60.939 75.437 7.341   1.469  -2.413 H152 PGT 107 
PGT H161 1H16 H 0 0 N N N 81.302 60.215 72.715 7.886   2.203  -0.108 H161 PGT 108 
PGT H162 2H16 H 0 0 N N N 79.540 60.579 72.933 8.669   0.636  0.206  H162 PGT 109 
PGT H171 1H17 H 0 0 N N N 79.793 59.121 75.101 10.280  1.073  -1.627 H171 PGT 110 
PGT H172 2H17 H 0 0 N N N 81.278 58.479 74.271 9.497   2.640  -1.941 H172 PGT 111 
PGT H181 1H18 H 0 0 N N N 79.812 57.944 72.288 10.042  3.374  0.364  H181 PGT 112 
PGT H182 2H18 H 0 0 N N N 78.372 58.372 73.316 10.825  1.807  0.678  H182 PGT 113 
PGT H191 1H19 H 0 0 N N N 78.375 56.323 74.213 12.436  2.244  -1.156 H191 PGT 114 
PGT H192 2H19 H 0 0 N N N 80.115 56.505 74.714 11.653  3.812  -1.470 H192 PGT 115 
PGT H201 1H20 H 0 0 N N N 79.245 55.711 71.902 12.198  4.546  0.835  H201 PGT 116 
PGT H202 2H20 H 0 0 N N N 79.560 54.502 73.215 12.981  2.978  1.149  H202 PGT 117 
PGT H211 1H21 H 0 0 N N N 81.847 55.443 73.464 14.592  3.415  -0.684 H211 PGT 118 
PGT H212 2H21 H 0 0 N N N 81.519 56.536 72.041 13.809  4.983  -0.999 H212 PGT 119 
PGT H221 1H22 H 0 0 N N N 80.990 53.657 71.561 14.354  5.717  1.306  H221 PGT 120 
PGT H222 2H22 H 0 0 N N N 82.726 54.053 71.912 15.137  4.149  1.621  H222 PGT 121 
PGT H231 1H23 H 0 0 N N N 82.748 55.687 70.110 16.748  4.587  -0.213 H231 PGT 122 
PGT H232 2H23 H 0 0 N N N 80.981 55.421 69.802 15.965  6.154  -0.527 H232 PGT 123 
PGT H241 1H24 H 0 0 N N N 81.767 52.909 69.504 16.510  6.888  1.778  H241 PGT 124 
PGT H242 2H24 H 0 0 N N N 83.363 53.691 69.146 17.293  5.321  2.092  H242 PGT 125 
PGT H251 1H25 H 0 0 N N N 82.463 54.885 67.293 18.904  5.758  0.258  H251 PGT 126 
PGT H252 2H25 H 0 0 N N N 80.766 54.529 67.784 18.121  7.325  -0.056 H252 PGT 127 
PGT H261 1H26 H 0 0 N N N 80.922 52.227 67.079 18.666  8.059  2.249  H261 PGT 128 
PGT H262 2H26 H 0 0 N N N 82.718 52.248 67.093 19.449  6.492  2.563  H262 PGT 129 
PGT H263 3H26 H 0 0 N N N 81.820 53.106 65.796 20.139  7.606  1.358  H263 PGT 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 
PGT C48 C47  SING N N 1   
PGT C48 H481 SING N N 2   
PGT C48 H482 SING N N 3   
PGT C48 H483 SING N N 4   
PGT C47 C46  SING N N 5   
PGT C47 H471 SING N N 6   
PGT C47 H472 SING N N 7   
PGT C46 C45  SING N N 8   
PGT C46 H461 SING N N 9   
PGT C46 H462 SING N N 10  
PGT C45 C44  SING N N 11  
PGT C45 H451 SING N N 12  
PGT C45 H452 SING N N 13  
PGT C44 C43  SING N N 14  
PGT C44 H441 SING N N 15  
PGT C44 H442 SING N N 16  
PGT C43 C42  SING N N 17  
PGT C43 H431 SING N N 18  
PGT C43 H432 SING N N 19  
PGT C42 C41  SING N N 20  
PGT C42 H421 SING N N 21  
PGT C42 H422 SING N N 22  
PGT C41 C40  SING N N 23  
PGT C41 H411 SING N N 24  
PGT C41 H412 SING N N 25  
PGT C40 C39  SING N N 26  
PGT C40 H401 SING N N 27  
PGT C40 H402 SING N N 28  
PGT C39 C38  SING N N 29  
PGT C39 H391 SING N N 30  
PGT C39 H392 SING N N 31  
PGT C38 C37  SING N N 32  
PGT C38 H381 SING N N 33  
PGT C38 H382 SING N N 34  
PGT C37 C36  SING N N 35  
PGT C37 H371 SING N N 36  
PGT C37 H372 SING N N 37  
PGT C36 C35  SING N N 38  
PGT C36 H361 SING N N 39  
PGT C36 H362 SING N N 40  
PGT C35 C34  SING N N 41  
PGT C35 H351 SING N N 42  
PGT C35 H352 SING N N 43  
PGT C34 C33  SING N N 44  
PGT C34 H341 SING N N 45  
PGT C34 H342 SING N N 46  
PGT C33 C32  SING N N 47  
PGT C33 H331 SING N N 48  
PGT C33 H332 SING N N 49  
PGT C32 C31  SING N N 50  
PGT C32 H321 SING N N 51  
PGT C32 H322 SING N N 52  
PGT C31 O31  DOUB N N 53  
PGT C31 O2   SING N N 54  
PGT O2  C2   SING N N 55  
PGT C2  C1   SING N N 56  
PGT C2  C3   SING N N 57  
PGT C2  H2   SING N N 58  
PGT C1  O3P  SING N N 59  
PGT C1  H11  SING N N 60  
PGT C1  H12  SING N N 61  
PGT O3P P    SING N N 62  
PGT P   O1P  DOUB N N 63  
PGT P   O2P  SING N N 64  
PGT P   O4P  SING N N 65  
PGT O2P HO2P SING N N 66  
PGT O4P C4   SING N N 67  
PGT C4  C5   SING N N 68  
PGT C4  H41  SING N N 69  
PGT C4  H42  SING N N 70  
PGT C5  O5   SING N N 71  
PGT C5  C6   SING N N 72  
PGT C5  H5   SING N N 73  
PGT O5  HO5  SING N N 74  
PGT C6  O6   SING N N 75  
PGT C6  H61  SING N N 76  
PGT C6  H62  SING N N 77  
PGT O6  HO6  SING N N 78  
PGT C3  O3   SING N N 79  
PGT C3  H31  SING N N 80  
PGT C3  H32  SING N N 81  
PGT O3  C11  SING N N 82  
PGT C11 O11  DOUB N N 83  
PGT C11 C12  SING N N 84  
PGT C12 C13  SING N N 85  
PGT C12 H121 SING N N 86  
PGT C12 H122 SING N N 87  
PGT C13 C14  SING N N 88  
PGT C13 H131 SING N N 89  
PGT C13 H132 SING N N 90  
PGT C14 C15  SING N N 91  
PGT C14 H141 SING N N 92  
PGT C14 H142 SING N N 93  
PGT C15 C16  SING N N 94  
PGT C15 H151 SING N N 95  
PGT C15 H152 SING N N 96  
PGT C16 C17  SING N N 97  
PGT C16 H161 SING N N 98  
PGT C16 H162 SING N N 99  
PGT C17 C18  SING N N 100 
PGT C17 H171 SING N N 101 
PGT C17 H172 SING N N 102 
PGT C18 C19  SING N N 103 
PGT C18 H181 SING N N 104 
PGT C18 H182 SING N N 105 
PGT C19 C20  SING N N 106 
PGT C19 H191 SING N N 107 
PGT C19 H192 SING N N 108 
PGT C20 C21  SING N N 109 
PGT C20 H201 SING N N 110 
PGT C20 H202 SING N N 111 
PGT C21 C22  SING N N 112 
PGT C21 H211 SING N N 113 
PGT C21 H212 SING N N 114 
PGT C22 C23  SING N N 115 
PGT C22 H221 SING N N 116 
PGT C22 H222 SING N N 117 
PGT C23 C24  SING N N 118 
PGT C23 H231 SING N N 119 
PGT C23 H232 SING N N 120 
PGT C24 C25  SING N N 121 
PGT C24 H241 SING N N 122 
PGT C24 H242 SING N N 123 
PGT C25 C26  SING N N 124 
PGT C25 H251 SING N N 125 
PGT C25 H252 SING N N 126 
PGT C26 H261 SING N N 127 
PGT C26 H262 SING N N 128 
PGT C26 H263 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 
PGT SMILES           ACDLabs              10.04 O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCC(O)CO)O)CCCCCCCCCCCCCCC 
PGT InChI            InChI                1.02b 
InChI=1/C40H79O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3,(H,45,46)/t37-,38+/m1/s1/f/h45H 
PGT InChIKey         InChI                1.02b KBPVYRBBONZJHF-IFKSKYTADP 
PGT SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@](O)(=O)OC[C@H](O)CO 
PGT SMILES           CACTVS               3.341 CCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCCCCC)CO[P](O)(=O)OC[CH](O)CO 
PGT SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O 
PGT SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCC(CO)O 
# 
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 
PGT "SYSTEMATIC NAME" ACDLabs              10.04 "(1S)-2-{[(S)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl octadecanoate" 
PGT "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2S)-1-[[(2R)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] octadecanoate"            
# 
