data_PEV
# 
_chem_comp.id                                    PEV 
_chem_comp.name                                  "(1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C39 H78 N O8 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "PHOSPHATIDYLETHANOLAMINE; 1-PALMITOYL-2-OLEOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE" 
_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                        720.012 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     PEV 
_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 
PEV C48  C48  C 0 1 N N N 18.865 99.159 42.926 21.254  5.739  -1.170 C48  PEV 1   
PEV C47  C47  C 0 1 N N N 19.602 97.846 43.019 20.434  4.499  -0.812 C47  PEV 2   
PEV C46  C46  C 0 1 N N N 18.660 96.700 42.691 18.943  4.840  -0.865 C46  PEV 3   
PEV C45  C45  C 0 1 N N N 19.295 95.341 43.028 18.123  3.599  -0.507 C45  PEV 4   
PEV C44  C44  C 0 1 N N N 18.967 94.275 41.982 16.632  3.941  -0.560 C44  PEV 5   
PEV C43  C43  C 0 1 N N N 19.785 92.988 42.218 15.812  2.700  -0.202 C43  PEV 6   
PEV C42  C42  C 0 1 N N N 19.842 92.053 40.982 14.321  3.042  -0.255 C42  PEV 7   
PEV C41  C41  C 0 1 N N N 21.023 91.073 41.056 13.501  1.801  0.103  C41  PEV 8   
PEV C40  C40  C 0 1 N N N 20.911 89.981 39.976 12.010  2.143  0.050  C40  PEV 9   
PEV C39  C39  C 0 1 N N N 21.981 88.892 40.158 11.189  0.902  0.408  C39  PEV 10  
PEV C38  C38  C 0 1 N N N 22.185 88.044 38.900 9.699   1.244  0.355  C38  PEV 11  
PEV C37  C37  C 0 1 N N N 23.385 88.550 38.098 8.878   0.003  0.713  C37  PEV 12  
PEV C36  C36  C 0 1 N N N 24.600 87.640 38.243 7.388   0.344  0.660  C36  PEV 13  
PEV C35  C35  C 0 1 N N N 25.821 88.230 37.509 6.567   -0.896 1.018  C35  PEV 14  
PEV C34  C34  C 0 1 N N N 26.877 87.189 37.143 5.077   -0.555 0.965  C34  PEV 15  
PEV C33  C33  C 0 1 N N N 27.324 86.501 38.420 4.256   -1.795 1.323  C33  PEV 16  
PEV C32  C32  C 0 1 N N N 26.571 85.170 38.642 2.766   -1.454 1.270  C32  PEV 17  
PEV C31  C31  C 0 1 N N N 27.149 84.356 39.813 1.958   -2.676 1.623  C31  PEV 18  
PEV O31  O31  O 0 1 N N N 28.060 83.558 39.606 2.516   -3.713 1.890  O31  PEV 19  
PEV O2   O2   O 0 1 N N N 26.632 84.509 41.069 0.617   -2.612 1.641  O2   PEV 20  
PEV C2   C2   C 0 1 N N S 27.556 84.512 42.234 -0.162  -3.789 1.981  C2   PEV 21  
PEV C1   C1   C 0 1 N N N 27.746 85.997 42.632 -0.472  -4.580 0.708  C1   PEV 22  
PEV O3P  O3P  O 0 1 N N N 28.482 86.197 43.868 -1.316  -3.802 -0.143 O3P  PEV 23  
PEV P    P    P 0 1 N N S 27.800 86.056 45.358 -1.600  -4.691 -1.455 P    PEV 24  
PEV O1P  O1P  O 0 1 N N N 27.677 84.458 45.539 -0.314  -5.103 -2.060 O1P  PEV 25  
PEV O2P  O2P  O 0 1 N N N 28.639 86.680 46.418 -2.444  -5.999 -1.044 O2P  PEV 26  
PEV O4P  O4P  O 0 1 N N N 26.278 86.646 45.345 -2.440  -3.822 -2.519 O4P  PEV 27  
PEV C4   C4   C 0 1 N N N 25.147 85.904 44.814 -2.558  -4.618 -3.700 C4   PEV 28  
PEV C5   C5   C 0 1 N N N 23.879 86.149 45.656 -3.350  -3.847 -4.758 C5   PEV 29  
PEV N6   N6   N 0 1 N N N 22.739 86.435 44.769 -2.592  -2.657 -5.166 N6   PEV 30  
PEV C3   C3   C 0 1 N N N 28.905 83.729 42.123 -1.471  -3.360 2.646  C3   PEV 31  
PEV O3   O3   O 0 1 N N N 28.805 82.271 42.133 -2.282  -2.626 1.691  O3   PEV 32  
PEV C11  C11  C 0 1 N N N 28.558 81.697 43.363 -3.482  -2.148 2.057  C11  PEV 33  
PEV O11  O11  O 0 1 N N N 28.723 82.344 44.402 -3.887  -2.329 3.180  O11  PEV 34  
PEV C12  C12  C 0 1 N N N 28.081 80.226 43.434 -4.323  -1.386 1.065  C12  PEV 35  
PEV C13  C13  C 0 1 N N N 26.765 80.066 44.228 -5.632  -0.957 1.731  C13  PEV 36  
PEV C14  C14  C 0 1 N N N 25.577 79.626 43.346 -6.486  -0.184 0.724  C14  PEV 37  
PEV C15  C15  C 0 1 N N N 24.259 80.332 43.748 -7.795  0.245  1.390  C15  PEV 38  
PEV C16  C16  C 0 1 N N N 23.330 80.597 42.542 -8.650  1.019  0.384  C16  PEV 39  
PEV C17  C17  C 0 1 N N N 21.957 81.138 42.975 -9.959  1.448  1.049  C17  PEV 40  
PEV C18  C18  C 0 1 N N N 20.899 80.024 43.115 -10.813 2.222  0.043  C18  PEV 41  
PEV C19  C19  C 0 1 N N N 19.465 80.569 42.917 -12.122 2.651  0.709  C19  PEV 42  
PEV C20  C20  C 0 1 N N N 18.406 79.450 42.924 -12.976 3.424  -0.298 C20  PEV 43  
PEV C21  C21  C 0 1 N N N 18.235 78.796 41.539 -14.285 3.854  0.368  C21  PEV 44  
PEV C22  C22  C 0 1 N N N 18.796 77.357 41.491 -15.140 4.627  -0.639 C22  PEV 45  
PEV C23  C23  C 0 1 N N N 18.226 76.530 40.321 -16.449 5.056  0.027  C23  PEV 46  
PEV C24  C24  C 0 1 N N N 18.701 77.010 38.935 -17.303 5.830  -0.979 C24  PEV 47  
PEV C25  C25  C 0 1 N N N 17.983 76.233 37.824 -18.612 6.259  -0.314 C25  PEV 48  
PEV C26  C26  C 0 1 N N N 17.898 77.079 36.506 -19.466 7.032  -1.320 C26  PEV 49  
PEV H481 1H48 H 0 0 N N N 17.902 99.003 42.417 20.993  6.070  -2.175 H481 PEV 50  
PEV H482 2H48 H 0 0 N N N 19.470 99.879 42.355 21.038  6.536  -0.458 H482 PEV 51  
PEV H483 3H48 H 0 0 N N N 18.686 99.552 43.938 22.316  5.496  -1.132 H483 PEV 52  
PEV H471 1H47 H 0 0 N N N 19.986 97.718 44.042 20.650  3.702  -1.524 H471 PEV 53  
PEV H472 2H47 H 0 0 N N N 20.438 97.846 42.304 20.695  4.168  0.194  H472 PEV 54  
PEV H461 1H46 H 0 0 N N N 18.443 96.725 41.613 18.727  5.637  -0.153 H461 PEV 55  
PEV H462 2H46 H 0 0 N N N 17.738 96.818 43.280 18.682  5.171  -1.870 H462 PEV 56  
PEV H451 1H45 H 0 0 N N N 18.887 95.006 43.993 18.339  2.803  -1.219 H451 PEV 57  
PEV H452 2H45 H 0 0 N N N 20.387 95.466 43.071 18.384  3.269  0.499  H452 PEV 58  
PEV H441 1H44 H 0 0 N N N 19.222 94.672 40.988 16.416  4.738  0.152  H441 PEV 59  
PEV H442 2H44 H 0 0 N N N 17.896 94.032 42.045 16.371  4.271  -1.565 H442 PEV 60  
PEV H431 1H43 H 0 0 N N N 19.287 92.430 43.025 16.028  1.904  -0.914 H431 PEV 61  
PEV H432 2H43 H 0 0 N N N 20.814 93.279 42.474 16.073  2.370  0.804  H432 PEV 62  
PEV H421 1H42 H 0 0 N N N 19.973 92.678 40.087 14.105  3.838  0.457  H421 PEV 63  
PEV H422 2H42 H 0 0 N N N 18.908 91.475 40.935 14.060  3.372  -1.260 H422 PEV 64  
PEV H411 1H41 H 0 0 N N N 21.013 90.589 42.044 13.716  1.005  -0.609 H411 PEV 65  
PEV H412 2H41 H 0 0 N N N 21.959 91.631 40.902 13.762  1.471  1.109  H412 PEV 66  
PEV H401 1H40 H 0 0 N N N 21.061 90.451 38.993 11.794  2.939  0.762  H401 PEV 67  
PEV H402 2H40 H 0 0 N N N 19.917 89.515 40.046 11.749  2.473  -0.955 H402 PEV 68  
PEV H391 1H39 H 0 0 N N N 21.640 88.221 40.960 11.405  0.105  -0.304 H391 PEV 69  
PEV H392 2H39 H 0 0 N N N 22.935 89.381 40.405 11.451  0.572  1.414  H392 PEV 70  
PEV H381 1H38 H 0 0 N N N 21.284 88.116 38.274 9.483   2.040  1.067  H381 PEV 71  
PEV H382 2H38 H 0 0 N N N 22.364 87.000 39.195 9.438   1.574  -0.650 H382 PEV 72  
PEV H371 1H37 H 0 0 N N N 23.657 89.543 38.485 9.094   -0.794 0.001  H371 PEV 73  
PEV H372 2H37 H 0 0 N N N 23.104 88.592 37.035 9.140   -0.328 1.719  H372 PEV 74  
PEV H361 1H36 H 0 0 N N N 24.362 86.662 37.800 7.172   1.141  1.372  H361 PEV 75  
PEV H362 2H36 H 0 0 N N N 24.842 87.533 39.311 7.127   0.675  -0.345 H362 PEV 76  
PEV H351 1H35 H 0 0 N N N 26.296 88.947 38.194 6.783   -1.693 0.306  H351 PEV 77  
PEV H352 2H35 H 0 0 N N N 25.467 88.699 36.579 6.829   -1.227 2.023  H352 PEV 78  
PEV H341 1H34 H 0 0 N N N 27.734 87.673 36.652 4.861   0.242  1.677  H341 PEV 79  
PEV H342 2H34 H 0 0 N N N 26.450 86.450 36.449 4.816   -0.224 -0.040 H342 PEV 80  
PEV H331 1H33 H 0 0 N N N 27.104 87.168 39.267 4.472   -2.592 0.611  H331 PEV 81  
PEV H332 2H33 H 0 0 N N N 28.401 86.291 38.350 4.518   -2.126 2.328  H332 PEV 82  
PEV H321 1H32 H 0 0 N N N 26.677 84.567 37.728 2.550   -0.657 1.982  H321 PEV 83  
PEV H322 2H32 H 0 0 N N N 25.518 85.398 38.862 2.505   -1.123 0.265  H322 PEV 84  
PEV H2   H2   H 0 1 N N N 27.077 83.911 43.021 0.407   -4.415 2.668  H2   PEV 85  
PEV H11  1H1  H 0 1 N N N 26.740 86.414 42.791 0.457   -4.809 0.187  H11  PEV 86  
PEV H12  2H1  H 0 1 N N N 28.302 86.495 41.824 -0.979  -5.508 0.972  H12  PEV 87  
PEV HO2P HO2P H 0 0 N N N 29.520 86.813 46.088 -3.272  -5.686 -0.655 HO2P PEV 88  
PEV H41  1H4  H 0 1 N N N 25.386 84.831 44.845 -1.564  -4.847 -4.085 H41  PEV 89  
PEV H42  2H4  H 0 1 N N N 24.958 86.231 43.781 -3.077  -5.547 -3.462 H42  PEV 90  
PEV H51  1H5  H 0 1 N N N 24.046 87.008 46.322 -3.516  -4.487 -5.625 H51  PEV 91  
PEV H52  2H5  H 0 1 N N N 23.660 85.252 46.254 -4.310  -3.542 -4.342 H52  PEV 92  
PEV HN61 1HN6 H 0 0 N N N 22.896 87.301 44.294 -3.150  -2.182 -5.860 HN61 PEV 93  
PEV HN62 2HN6 H 0 0 N N N 21.902 86.500 45.312 -2.552  -2.049 -4.361 HN62 PEV 94  
PEV H31  1H3  H 0 1 N N N 29.481 83.996 43.022 -2.015  -4.243 2.981  H31  PEV 95  
PEV H32  2H3  H 0 1 N N N 29.374 84.018 41.171 -1.251  -2.722 3.502  H32  PEV 96  
PEV H121 1H12 H 0 0 N N N 28.858 79.646 43.954 -3.779  -0.503 0.730  H121 PEV 97  
PEV H122 2H12 H 0 0 N N N 27.915 79.864 42.409 -4.543  -2.024 0.209  H122 PEV 98  
PEV H131 1H13 H 0 0 N N N 26.514 81.049 44.654 -6.176  -1.840 2.066  H131 PEV 99  
PEV H132 2H13 H 0 0 N N N 26.921 79.302 45.004 -5.412  -0.319 2.587  H132 PEV 100 
PEV H141 1H14 H 0 0 N N N 25.437 78.543 43.480 -5.943  0.700  0.389  H141 PEV 101 
PEV H142 2H14 H 0 0 N N N 25.805 79.878 42.300 -6.706  -0.822 -0.132 H142 PEV 102 
PEV H151 1H15 H 0 0 N N N 24.523 81.306 44.186 -8.339  -0.638 1.725  H151 PEV 103 
PEV H152 2H15 H 0 0 N N N 23.725 79.689 44.463 -7.576  0.883  2.246  H152 PEV 104 
PEV H161 1H16 H 0 0 N N N 23.169 79.642 42.021 -8.106  1.902  0.049  H161 PEV 105 
PEV H162 2H16 H 0 0 N N N 23.809 81.340 41.887 -8.869  0.381  -0.472 H162 PEV 106 
PEV H171 1H17 H 0 0 N N N 21.610 81.834 42.197 -10.503 0.565  1.384  H171 PEV 107 
PEV H172 2H17 H 0 0 N N N 22.070 81.635 43.950 -9.739  2.086  1.905  H172 PEV 108 
PEV H181 1H18 H 0 0 N N N 20.971 79.606 44.130 -10.269 3.105  -0.292 H181 PEV 109 
PEV H182 2H18 H 0 0 N N N 21.093 79.255 42.353 -11.033 1.584  -0.813 H182 PEV 110 
PEV H191 1H19 H 0 0 N N N 19.425 81.065 41.936 -12.666 1.768  1.044  H191 PEV 111 
PEV H192 2H19 H 0 0 N N N 19.241 81.267 43.737 -11.902 3.289  1.565  H192 PEV 112 
PEV H201 1H20 H 0 0 N N N 17.442 79.899 43.206 -12.432 4.308  -0.633 H201 PEV 113 
PEV H202 2H20 H 0 0 N N N 18.720 78.676 43.640 -13.196 2.786  -1.154 H202 PEV 114 
PEV H211 1H21 H 0 0 N N N 18.796 79.400 40.811 -14.829 2.970  0.703  H211 PEV 115 
PEV H212 2H21 H 0 0 N N N 17.162 78.760 41.301 -14.066 4.491  1.224  H212 PEV 116 
PEV H221 1H22 H 0 0 N N N 18.504 76.855 42.425 -14.596 5.510  -0.974 H221 PEV 117 
PEV H222 2H22 H 0 0 N N N 19.888 77.415 41.374 -15.359 3.989  -1.495 H222 PEV 118 
PEV H231 1H23 H 0 0 N N N 17.132 76.644 40.346 -16.992 4.173  0.362  H231 PEV 119 
PEV H232 2H23 H 0 0 N N N 18.549 75.487 40.451 -16.229 5.694  0.883  H232 PEV 120 
PEV H241 1H24 H 0 0 N N N 19.784 76.837 38.849 -16.759 6.713  -1.314 H241 PEV 121 
PEV H242 2H24 H 0 0 N N N 18.478 78.082 38.828 -17.523 5.192  -1.835 H242 PEV 122 
PEV H251 1H25 H 0 0 N N N 16.961 76.006 38.160 -19.156 5.376  0.021  H251 PEV 123 
PEV H252 2H25 H 0 0 N N N 18.541 75.307 37.618 -18.392 6.897  0.542  H252 PEV 124 
PEV H261 1H26 H 0 0 N N N 16.981 76.814 35.959 -18.922 7.916  -1.655 H261 PEV 125 
PEV H262 2H26 H 0 0 N N N 18.775 76.867 35.877 -19.686 6.395  -2.176 H262 PEV 126 
PEV H263 3H26 H 0 0 N N N 17.878 78.150 36.758 -20.399 7.338  -0.846 H263 PEV 127 
# 
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 
PEV C48 C47  SING N N 1   
PEV C48 H481 SING N N 2   
PEV C48 H482 SING N N 3   
PEV C48 H483 SING N N 4   
PEV C47 C46  SING N N 5   
PEV C47 H471 SING N N 6   
PEV C47 H472 SING N N 7   
PEV C46 C45  SING N N 8   
PEV C46 H461 SING N N 9   
PEV C46 H462 SING N N 10  
PEV C45 C44  SING N N 11  
PEV C45 H451 SING N N 12  
PEV C45 H452 SING N N 13  
PEV C44 C43  SING N N 14  
PEV C44 H441 SING N N 15  
PEV C44 H442 SING N N 16  
PEV C43 C42  SING N N 17  
PEV C43 H431 SING N N 18  
PEV C43 H432 SING N N 19  
PEV C42 C41  SING N N 20  
PEV C42 H421 SING N N 21  
PEV C42 H422 SING N N 22  
PEV C41 C40  SING N N 23  
PEV C41 H411 SING N N 24  
PEV C41 H412 SING N N 25  
PEV C40 C39  SING N N 26  
PEV C40 H401 SING N N 27  
PEV C40 H402 SING N N 28  
PEV C39 C38  SING N N 29  
PEV C39 H391 SING N N 30  
PEV C39 H392 SING N N 31  
PEV C38 C37  SING N N 32  
PEV C38 H381 SING N N 33  
PEV C38 H382 SING N N 34  
PEV C37 C36  SING N N 35  
PEV C37 H371 SING N N 36  
PEV C37 H372 SING N N 37  
PEV C36 C35  SING N N 38  
PEV C36 H361 SING N N 39  
PEV C36 H362 SING N N 40  
PEV C35 C34  SING N N 41  
PEV C35 H351 SING N N 42  
PEV C35 H352 SING N N 43  
PEV C34 C33  SING N N 44  
PEV C34 H341 SING N N 45  
PEV C34 H342 SING N N 46  
PEV C33 C32  SING N N 47  
PEV C33 H331 SING N N 48  
PEV C33 H332 SING N N 49  
PEV C32 C31  SING N N 50  
PEV C32 H321 SING N N 51  
PEV C32 H322 SING N N 52  
PEV C31 O31  DOUB N N 53  
PEV C31 O2   SING N N 54  
PEV O2  C2   SING N N 55  
PEV C2  C1   SING N N 56  
PEV C2  C3   SING N N 57  
PEV C2  H2   SING N N 58  
PEV C1  O3P  SING N N 59  
PEV C1  H11  SING N N 60  
PEV C1  H12  SING N N 61  
PEV O3P P    SING N N 62  
PEV P   O1P  DOUB N N 63  
PEV P   O2P  SING N N 64  
PEV P   O4P  SING N N 65  
PEV O2P HO2P SING N N 66  
PEV O4P C4   SING N N 67  
PEV C4  C5   SING N N 68  
PEV C4  H41  SING N N 69  
PEV C4  H42  SING N N 70  
PEV C5  N6   SING N N 71  
PEV C5  H51  SING N N 72  
PEV C5  H52  SING N N 73  
PEV N6  HN61 SING N N 74  
PEV N6  HN62 SING N N 75  
PEV C3  O3   SING N N 76  
PEV C3  H31  SING N N 77  
PEV C3  H32  SING N N 78  
PEV O3  C11  SING N N 79  
PEV C11 O11  DOUB N N 80  
PEV C11 C12  SING N N 81  
PEV C12 C13  SING N N 82  
PEV C12 H121 SING N N 83  
PEV C12 H122 SING N N 84  
PEV C13 C14  SING N N 85  
PEV C13 H131 SING N N 86  
PEV C13 H132 SING N N 87  
PEV C14 C15  SING N N 88  
PEV C14 H141 SING N N 89  
PEV C14 H142 SING N N 90  
PEV C15 C16  SING N N 91  
PEV C15 H151 SING N N 92  
PEV C15 H152 SING N N 93  
PEV C16 C17  SING N N 94  
PEV C16 H161 SING N N 95  
PEV C16 H162 SING N N 96  
PEV C17 C18  SING N N 97  
PEV C17 H171 SING N N 98  
PEV C17 H172 SING N N 99  
PEV C18 C19  SING N N 100 
PEV C18 H181 SING N N 101 
PEV C18 H182 SING N N 102 
PEV C19 C20  SING N N 103 
PEV C19 H191 SING N N 104 
PEV C19 H192 SING N N 105 
PEV C20 C21  SING N N 106 
PEV C20 H201 SING N N 107 
PEV C20 H202 SING N N 108 
PEV C21 C22  SING N N 109 
PEV C21 H211 SING N N 110 
PEV C21 H212 SING N N 111 
PEV C22 C23  SING N N 112 
PEV C22 H221 SING N N 113 
PEV C22 H222 SING N N 114 
PEV C23 C24  SING N N 115 
PEV C23 H231 SING N N 116 
PEV C23 H232 SING N N 117 
PEV C24 C25  SING N N 118 
PEV C24 H241 SING N N 119 
PEV C24 H242 SING N N 120 
PEV C25 C26  SING N N 121 
PEV C25 H251 SING N N 122 
PEV C25 H252 SING N N 123 
PEV C26 H261 SING N N 124 
PEV C26 H262 SING N N 125 
PEV C26 H263 SING N N 126 
# 
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 
PEV SMILES           ACDLabs              10.04 O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC 
PEV InChI            InChI                1.02b 
InChI=1/C39H78NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37H,3-36,40H2,1-2H3,(H,43,44)/t37-/m0/s1/f/h43H 
PEV InChIKey         InChI                1.02b RPJZYOHZALDGKI-XRIQGFFNDR 
PEV SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@](O)(=O)OCCN 
PEV SMILES           CACTVS               3.341 CCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCCCCC)CO[P](O)(=O)OCCN 
PEV SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN 
PEV SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN 
# 
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 
PEV "SYSTEMATIC NAME" ACDLabs              10.04 "(1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl octadecanoate" 
PEV "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2S)-1-(2-aminoethoxy-hydroxy-phosphoryl)oxy-3-hexadecanoyloxy-propan-2-yl] octadecanoate"          
# 
