data_PEK
# 
_chem_comp.id                                    PEK 
_chem_comp.name                                  "(1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C43 H78 N O8 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "PHOSPHATIDYLETHANOLAMINE, 2-ARACHIDONOYL-1-STEAROYL-SN-GLYCEROL-3-PHOSPHOETHANOLAMINE" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2003-12-02 
_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                        768.055 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     PEK 
_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        1V54 
_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 
PEK P    P    P 0 1 N N R 85.421 313.470 214.889 -6.258 -0.045 0.200   P    PEK 1   
PEK N    N    N 0 1 N N N 88.616 310.077 215.673 -6.489 -1.962 4.059   N    PEK 2   
PEK C01  C01  C 0 1 N N N 88.935 312.569 211.934 -3.004 2.664  -0.770  C01  PEK 3   
PEK C02  C02  C 0 1 N N R 88.702 314.076 212.386 -3.771 1.975  -1.901  C02  PEK 4   
PEK C03  C03  C 0 1 N N N 88.099 314.339 213.848 -5.094 1.428  -1.360  C03  PEK 5   
PEK C04  C04  C 0 1 N N N 86.270 310.941 215.824 -7.331 -1.549 1.797   C04  PEK 6   
PEK C05  C05  C 0 1 N N N 87.191 309.854 215.236 -7.189 -2.575 2.923   C05  PEK 7   
PEK O01  O01  O 0 1 N N N 87.996 314.810 211.334 -2.975 0.881  -2.429  O01  PEK 8   
PEK O02  O02  O 0 1 N N N 89.684 316.200 210.536 -3.867 1.114  -4.438  O02  PEK 9   
PEK O03  O03  O 0 1 N N N 87.827 311.648 212.173 -2.735 1.706  0.286   O03  PEK 10  
PEK O04  O04  O 0 1 N N N 87.539 310.923 209.925 -1.693 3.233  1.497   O04  PEK 11  
PEK O11  O11  O 0 1 N N N 86.638 314.196 213.969 -4.830 0.485  -0.319  O11  PEK 12  
PEK O12  O12  O 0 1 N N N 85.745 311.847 214.810 -6.034 -1.117 1.380   O12  PEK 13  
PEK O13  O13  O 0 1 N N N 85.519 313.935 216.303 -7.121 1.193  0.757   O13  PEK 14  
PEK O14  O14  O 0 1 N N N 84.106 313.705 214.230 -6.982 -0.687 -0.918  O14  PEK 15  
PEK C1   C1   C 0 1 N N N 88.673 315.536 210.352 -3.096 0.525  -3.717  C1   PEK 16  
PEK C2   C2   C 0 1 N N N 87.946 315.397 208.971 -2.270 -0.609 -4.266  C2   PEK 17  
PEK C3   C3   C 0 1 N N N 87.410 316.718 208.370 -2.597 -0.808 -5.747  C3   PEK 18  
PEK C4   C4   C 0 1 N N N 87.725 316.966 206.881 -1.759 -1.961 -6.304  C4   PEK 19  
PEK C5   C5   C 0 1 N N N 89.044 317.797 206.728 -2.081 -2.157 -7.763  C5   PEK 20  
PEK C6   C6   C 0 1 N N N 89.777 318.037 205.367 -1.116 -2.178 -8.650  C6   PEK 21  
PEK C7   C7   C 0 1 N N N 89.243 317.442 204.025 0.321  -2.173 -8.199  C7   PEK 22  
PEK C8   C8   C 0 1 N N N 88.343 318.347 203.197 1.057  -3.313 -8.855  C8   PEK 23  
PEK C9   C9   C 0 1 N N N 87.998 318.120 201.699 2.169  -3.085 -9.508  C9   PEK 24  
PEK C10  C10  C 0 1 N N N 88.495 316.975 200.795 2.801  -1.718 -9.465  C10  PEK 25  
PEK C11  C11  C 0 1 N N N 87.455 315.926 200.296 4.247  -1.846 -9.060  C11  PEK 26  
PEK C12  C12  C 0 1 N N N 87.000 315.611 198.826 5.185  -1.309 -9.801  C12  PEK 27  
PEK C13  C13  C 0 1 N N N 87.428 316.257 197.475 4.813  -0.476 -11.000 C13  PEK 28  
PEK C14  C14  C 0 1 N N N 86.666 317.512 196.998 5.497  0.863  -10.913 C14  PEK 29  
PEK C15  C15  C 0 1 N N N 85.933 317.597 195.631 6.206  1.304  -11.922 C15  PEK 30  
PEK C16  C16  C 0 1 N N N 85.889 316.434 194.649 6.204  0.554  -13.229 C16  PEK 31  
PEK C17  C17  C 0 1 N N N 85.055 316.827 193.422 5.855  1.515  -14.368 C17  PEK 32  
PEK C18  C18  C 0 1 N N N 84.636 315.675 192.448 5.853  0.753  -15.695 C18  PEK 33  
PEK C19  C19  C 0 1 N N N 85.672 314.599 192.049 5.505  1.714  -16.834 C19  PEK 34  
PEK C20  C20  C 0 1 N N N 85.678 314.150 190.590 5.503  0.952  -18.161 C20  PEK 35  
PEK C21  C21  C 0 1 N N N 87.156 310.991 211.090 -2.069 2.090  1.386   C21  PEK 36  
PEK C22  C22  C 0 1 N N N 85.834 310.328 211.645 -1.790 1.095  2.484   C22  PEK 37  
PEK C23  C23  C 0 1 N N N 84.893 309.741 210.565 -1.023 1.785  3.614   C23  PEK 38  
PEK C24  C24  C 0 1 N N N 83.666 310.602 210.165 -0.740 0.775  4.728   C24  PEK 39  
PEK C25  C25  C 0 1 N N N 82.343 310.312 210.895 0.026  1.464  5.858   C25  PEK 40  
PEK C26  C26  C 0 1 N N N 81.085 310.847 210.193 0.309  0.455  6.972   C26  PEK 41  
PEK C27  C27  C 0 1 N N N 80.612 310.015 208.987 1.076  1.144  8.103   C27  PEK 42  
PEK C28  C28  C 0 1 N N N 79.346 309.176 209.242 1.359  0.134  9.217   C28  PEK 43  
PEK C29  C29  C 0 1 N N N 78.584 308.777 207.972 2.126  0.823  10.347  C29  PEK 44  
PEK C30  C30  C 0 1 N N N 78.422 307.262 207.813 2.409  -0.185 11.461  C30  PEK 45  
PEK C31  C31  C 0 1 N N N 79.593 306.564 207.059 3.176  0.503  12.591  C31  PEK 46  
PEK C32  C32  C 0 1 N N N 79.417 305.063 206.651 3.459  -0.506 13.705  C32  PEK 47  
PEK C33  C33  C 0 1 N N N 80.669 304.154 206.765 4.226  0.183  14.836  C33  PEK 48  
PEK C34  C34  C 0 1 N N N 80.514 302.962 207.740 4.509  -0.826 15.950  C34  PEK 49  
PEK C35  C35  C 0 1 N N N 81.184 301.657 207.305 5.276  -0.137 17.080  C35  PEK 50  
PEK C36  C36  C 0 1 N N N 80.375 300.859 206.265 5.559  -1.147 18.194  C36  PEK 51  
PEK C37  C37  C 0 1 N N N 80.337 301.474 204.849 6.326  -0.457 19.324  C37  PEK 52  
PEK C38  C38  C 0 1 N N N 80.537 300.526 203.667 6.609  -1.467 20.438  C38  PEK 53  
PEK HN1  1HN  H 0 1 N N N 89.225 309.357 215.283 -6.418 -2.671 4.773   HN1  PEK 54  
PEK HN2  2HN  H 0 1 N N N 88.696 310.134 216.688 -5.548 -1.768 3.749   HN2  PEK 55  
PEK H011 1H01 H 0 0 N N N 89.226 312.538 210.858 -3.601 3.485  -0.374  H011 PEK 56  
PEK H012 2H01 H 0 0 N N N 89.864 312.172 212.405 -2.062 3.054  -1.156  H012 PEK 57  
PEK H02  H02  H 0 1 N N N 89.731 314.484 212.517 -3.973 2.694  -2.694  H02  PEK 58  
PEK H031 1H03 H 0 0 N N N 88.608 313.685 214.593 -5.691 2.249  -0.963  H031 PEK 59  
PEK H032 2H03 H 0 0 N N N 88.415 315.343 214.215 -5.640 0.937  -2.165  H032 PEK 60  
PEK H041 1H04 H 0 0 N N N 85.443 310.485 216.418 -7.901 -0.693 2.155   H041 PEK 61  
PEK H042 2H04 H 0 0 N N N 86.786 311.505 216.634 -7.851 -2.005 0.954   H042 PEK 62  
PEK H051 1H05 H 0 0 N N N 87.102 309.791 214.126 -8.178 -2.905 3.241   H051 PEK 63  
PEK H052 2H05 H 0 0 N N N 86.835 308.827 215.489 -6.619 -3.432 2.564   H052 PEK 64  
PEK H13  H13  H 0 1 N N N 84.834 313.526 216.820 -6.615 1.582  1.483   H13  PEK 65  
PEK H21  1H2  H 0 1 N N N 88.611 314.885 208.237 -1.212 -0.374 -4.156  H21  PEK 66  
PEK H22  2H2  H 0 1 N N N 87.123 314.648 209.045 -2.499 -1.523 -3.717  H22  PEK 67  
PEK H31  1H3  H 0 1 N N N 86.310 316.790 208.539 -3.656 -1.043 -5.857  H31  PEK 68  
PEK H32  2H3  H 0 1 N N N 87.765 317.581 208.979 -2.369 0.105  -6.296  H32  PEK 69  
PEK H41  1H4  H 0 1 N N N 87.766 316.013 206.302 -0.700 -1.726 -6.194  H41  PEK 70  
PEK H42  2H4  H 0 1 N N N 86.869 317.446 206.351 -1.987 -2.874 -5.756  H42  PEK 71  
PEK H5   H5   H 0 1 N N N 89.484 318.241 207.636 -3.106 -2.280 -8.078  H5   PEK 72  
PEK H6   H6   H 0 1 N N N 90.697 318.643 205.353 -1.352 -2.198 -9.703  H6   PEK 73  
PEK H71  1H7  H 0 1 N N N 90.098 317.090 203.402 0.787  -1.229 -8.481  H71  PEK 74  
PEK H72  2H7  H 0 1 N N N 88.725 316.474 204.222 0.363  -2.289 -7.116  H72  PEK 75  
PEK H8   H8   H 0 1 N N N 87.914 319.221 203.714 0.667  -4.318 -8.786  H8   PEK 76  
PEK H9   H9   H 0 1 N N N 87.325 318.853 201.224 2.633  -3.877 -10.077 H9   PEK 77  
PEK H101 1H10 H 0 0 N N N 89.024 317.409 199.915 2.740  -1.258 -10.451 H101 PEK 78  
PEK H102 2H10 H 0 0 N N N 89.331 316.443 201.306 2.275  -1.097 -8.741  H102 PEK 79  
PEK H11  H11  H 0 1 N N N 86.977 315.326 201.089 4.510  -2.380 -8.159  H11  PEK 80  
PEK H12  H12  H 0 1 N N N 86.256 314.802 198.725 6.225  -1.464 -9.552  H12  PEK 81  
PEK H131 1H13 H 0 0 N N N 88.519 316.482 197.507 5.130  -0.987 -11.910 H131 PEK 82  
PEK H132 2H13 H 0 0 N N N 87.395 315.482 196.673 3.733  -0.333 -11.022 H132 PEK 83  
PEK H14  H14  H 0 1 N N N 86.644 318.389 197.665 5.402  1.460  -10.017 H14  PEK 84  
PEK H15  H15  H 0 1 N N N 85.418 318.529 195.343 6.792  2.205  -11.817 H15  PEK 85  
PEK H161 1H16 H 0 0 N N N 86.909 316.081 194.368 7.191  0.126  -13.404 H161 PEK 86  
PEK H162 2H16 H 0 0 N N N 85.520 315.495 195.125 5.463  -0.244 -13.188 H162 PEK 87  
PEK H171 1H17 H 0 0 N N N 84.146 317.383 193.752 4.868  1.943  -14.193 H171 PEK 88  
PEK H172 2H17 H 0 0 N N N 85.587 317.622 192.849 6.596  2.313  -14.408 H172 PEK 89  
PEK H181 1H18 H 0 0 N N N 83.737 315.165 192.866 6.841  0.325  -15.870 H181 PEK 90  
PEK H182 2H18 H 0 0 N N N 84.219 316.129 191.518 5.113  -0.045 -15.654 H182 PEK 91  
PEK H191 1H19 H 0 0 N N N 86.693 314.941 192.337 4.518  2.142  -16.659 H191 PEK 92  
PEK H192 2H19 H 0 0 N N N 85.558 313.709 192.711 6.246  2.513  -16.874 H192 PEK 93  
PEK H201 1H20 H 0 0 N N N 86.425 313.374 190.302 5.255  1.637  -18.972 H201 PEK 94  
PEK H202 2H20 H 0 0 N N N 84.656 313.807 190.302 6.490  0.524  -18.335 H202 PEK 95  
PEK H203 3H20 H 0 0 N N N 85.791 315.039 189.927 4.763  0.153  -18.120 H203 PEK 96  
PEK H221 1H22 H 0 0 N N N 86.083 309.549 212.403 -1.193 0.274  2.087   H221 PEK 97  
PEK H222 2H22 H 0 0 N N N 85.279 311.052 212.285 -2.733 0.706  2.869   H222 PEK 98  
PEK H231 1H23 H 0 0 N N N 85.483 309.485 209.654 -1.621 2.606  4.011   H231 PEK 99  
PEK H232 2H23 H 0 0 N N N 84.551 308.726 210.878 -0.081 2.174  3.229   H232 PEK 100 
PEK H241 1H24 H 0 0 N N N 83.919 311.682 210.269 -0.143 -0.045 4.331   H241 PEK 101 
PEK H242 2H24 H 0 0 N N N 83.506 310.533 209.063 -1.683 0.386  5.113   H242 PEK 102 
PEK H251 1H25 H 0 0 N N N 82.241 309.218 211.088 -0.571 2.285  6.255   H251 PEK 103 
PEK H252 2H25 H 0 0 N N N 82.390 310.690 211.942 0.968  1.854  5.473   H252 PEK 104 
PEK H261 1H26 H 0 0 N N N 80.255 310.966 210.927 0.906  -0.366 6.576   H261 PEK 105 
PEK H262 2H26 H 0 0 N N N 81.233 311.910 209.893 -0.633 0.065  7.358   H262 PEK 106 
PEK H271 1H27 H 0 0 N N N 80.469 310.670 208.096 0.479  1.965  8.499   H271 PEK 107 
PEK H272 2H27 H 0 0 N N N 81.439 309.365 208.616 2.018  1.533  7.717   H272 PEK 108 
PEK H281 1H28 H 0 0 N N N 79.593 308.272 209.847 1.956  -0.686 8.820   H281 PEK 109 
PEK H282 2H28 H 0 0 N N N 78.667 309.702 209.953 0.417  -0.254 9.602   H282 PEK 110 
PEK H291 1H29 H 0 0 N N N 77.594 309.288 207.927 1.529  1.644  10.744  H291 PEK 111 
PEK H292 2H29 H 0 0 N N N 79.061 309.221 207.067 3.068  1.213  9.962   H292 PEK 112 
PEK H301 1H30 H 0 0 N N N 78.258 306.782 208.806 3.006  -1.006 11.064  H301 PEK 113 
PEK H302 2H30 H 0 0 N N N 77.448 307.024 207.323 1.467  -0.575 11.846  H302 PEK 114 
PEK H311 1H31 H 0 0 N N N 79.850 307.160 206.152 2.579  1.324  12.988  H311 PEK 115 
PEK H312 2H31 H 0 0 N N N 80.527 306.672 207.657 4.118  0.892  12.206  H312 PEK 116 
PEK H321 1H32 H 0 0 N N N 78.577 304.615 207.231 4.056  -1.327 13.309  H321 PEK 117 
PEK H322 2H32 H 0 0 N N N 79.006 305.003 205.616 2.517  -0.895 14.091  H322 PEK 118 
PEK H331 1H33 H 0 0 N N N 80.977 303.792 205.756 3.629  1.004  15.232  H331 PEK 119 
PEK H332 2H33 H 0 0 N N N 81.564 304.760 207.034 5.169  0.572  14.450  H332 PEK 120 
PEK H341 1H34 H 0 0 N N N 80.871 303.252 208.755 5.106  -1.647 15.553  H341 PEK 121 
PEK H342 2H34 H 0 0 N N N 79.434 302.782 207.952 3.567  -1.216 16.335  H342 PEK 122 
PEK H351 1H35 H 0 0 N N N 82.217 301.850 206.933 4.679  0.683  17.477  H351 PEK 123 
PEK H352 2H35 H 0 0 N N N 81.419 301.022 208.190 6.219  0.252  16.695  H352 PEK 124 
PEK H361 1H36 H 0 0 N N N 80.743 299.807 206.216 6.156  -1.968 17.797  H361 PEK 125 
PEK H362 2H36 H 0 0 N N N 79.337 300.686 206.636 4.617  -1.536 18.579  H362 PEK 126 
PEK H371 1H37 H 0 0 N N N 79.383 302.035 204.715 5.729  0.363  19.721  H371 PEK 127 
PEK H372 2H37 H 0 0 N N N 81.078 302.304 204.786 7.269  -0.068 18.939  H372 PEK 128 
PEK H381 1H38 H 0 0 N N N 80.509 300.970 202.644 7.156  -0.976 21.244  H381 PEK 129 
PEK H382 2H38 H 0 0 N N N 81.490 299.964 203.800 5.667  -1.856 20.824  H382 PEK 130 
PEK H383 3H38 H 0 0 N N N 79.795 299.695 203.729 7.207  -2.288 20.042  H383 PEK 131 
# 
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 
PEK P   O11  SING N N 1   
PEK P   O12  SING N N 2   
PEK P   O13  SING N N 3   
PEK P   O14  DOUB N N 4   
PEK N   C05  SING N N 5   
PEK N   HN1  SING N N 6   
PEK N   HN2  SING N N 7   
PEK C01 C02  SING N N 8   
PEK C01 O03  SING N N 9   
PEK C01 H011 SING N N 10  
PEK C01 H012 SING N N 11  
PEK C02 C03  SING N N 12  
PEK C02 O01  SING N N 13  
PEK C02 H02  SING N N 14  
PEK C03 O11  SING N N 15  
PEK C03 H031 SING N N 16  
PEK C03 H032 SING N N 17  
PEK C04 C05  SING N N 18  
PEK C04 O12  SING N N 19  
PEK C04 H041 SING N N 20  
PEK C04 H042 SING N N 21  
PEK C05 H051 SING N N 22  
PEK C05 H052 SING N N 23  
PEK O01 C1   SING N N 24  
PEK O02 C1   DOUB N N 25  
PEK O03 C21  SING N N 26  
PEK O04 C21  DOUB N N 27  
PEK O13 H13  SING N N 28  
PEK C1  C2   SING N N 29  
PEK C2  C3   SING N N 30  
PEK C2  H21  SING N N 31  
PEK C2  H22  SING N N 32  
PEK C3  C4   SING N N 33  
PEK C3  H31  SING N N 34  
PEK C3  H32  SING N N 35  
PEK C4  C5   SING N N 36  
PEK C4  H41  SING N N 37  
PEK C4  H42  SING N N 38  
PEK C5  C6   DOUB N Z 39  
PEK C5  H5   SING N N 40  
PEK C6  C7   SING N N 41  
PEK C6  H6   SING N N 42  
PEK C7  C8   SING N N 43  
PEK C7  H71  SING N N 44  
PEK C7  H72  SING N N 45  
PEK C8  C9   DOUB N Z 46  
PEK C8  H8   SING N N 47  
PEK C9  C10  SING N N 48  
PEK C9  H9   SING N N 49  
PEK C10 C11  SING N N 50  
PEK C10 H101 SING N N 51  
PEK C10 H102 SING N N 52  
PEK C11 C12  DOUB N Z 53  
PEK C11 H11  SING N N 54  
PEK C12 C13  SING N N 55  
PEK C12 H12  SING N N 56  
PEK C13 C14  SING N N 57  
PEK C13 H131 SING N N 58  
PEK C13 H132 SING N N 59  
PEK C14 C15  DOUB N Z 60  
PEK C14 H14  SING N N 61  
PEK C15 C16  SING N N 62  
PEK C15 H15  SING N N 63  
PEK C16 C17  SING N N 64  
PEK C16 H161 SING N N 65  
PEK C16 H162 SING N N 66  
PEK C17 C18  SING N N 67  
PEK C17 H171 SING N N 68  
PEK C17 H172 SING N N 69  
PEK C18 C19  SING N N 70  
PEK C18 H181 SING N N 71  
PEK C18 H182 SING N N 72  
PEK C19 C20  SING N N 73  
PEK C19 H191 SING N N 74  
PEK C19 H192 SING N N 75  
PEK C20 H201 SING N N 76  
PEK C20 H202 SING N N 77  
PEK C20 H203 SING N N 78  
PEK C21 C22  SING N N 79  
PEK C22 C23  SING N N 80  
PEK C22 H221 SING N N 81  
PEK C22 H222 SING N N 82  
PEK C23 C24  SING N N 83  
PEK C23 H231 SING N N 84  
PEK C23 H232 SING N N 85  
PEK C24 C25  SING N N 86  
PEK C24 H241 SING N N 87  
PEK C24 H242 SING N N 88  
PEK C25 C26  SING N N 89  
PEK C25 H251 SING N N 90  
PEK C25 H252 SING N N 91  
PEK C26 C27  SING N N 92  
PEK C26 H261 SING N N 93  
PEK C26 H262 SING N N 94  
PEK C27 C28  SING N N 95  
PEK C27 H271 SING N N 96  
PEK C27 H272 SING N N 97  
PEK C28 C29  SING N N 98  
PEK C28 H281 SING N N 99  
PEK C28 H282 SING N N 100 
PEK C29 C30  SING N N 101 
PEK C29 H291 SING N N 102 
PEK C29 H292 SING N N 103 
PEK C30 C31  SING N N 104 
PEK C30 H301 SING N N 105 
PEK C30 H302 SING N N 106 
PEK C31 C32  SING N N 107 
PEK C31 H311 SING N N 108 
PEK C31 H312 SING N N 109 
PEK C32 C33  SING N N 110 
PEK C32 H321 SING N N 111 
PEK C32 H322 SING N N 112 
PEK C33 C34  SING N N 113 
PEK C33 H331 SING N N 114 
PEK C33 H332 SING N N 115 
PEK C34 C35  SING N N 116 
PEK C34 H341 SING N N 117 
PEK C34 H342 SING N N 118 
PEK C35 C36  SING N N 119 
PEK C35 H351 SING N N 120 
PEK C35 H352 SING N N 121 
PEK C36 C37  SING N N 122 
PEK C36 H361 SING N N 123 
PEK C36 H362 SING N N 124 
PEK C37 C38  SING N N 125 
PEK C37 H371 SING N N 126 
PEK C37 H372 SING N N 127 
PEK C38 H381 SING N N 128 
PEK C38 H382 SING N N 129 
PEK C38 H383 SING N N 130 
# 
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 
PEK SMILES           ACDLabs              10.04 O=C(OCC(OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCCCC 
PEK InChI            InChI                1.02b 
;InChI=1/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,41H,3-10,12,14-16,18,20-21,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,24-22-,30-28-/t41-/m1/s1/f/h47H
;
PEK InChIKey         InChI                1.02b ANRKEHNWXKCXDB-SKELVDMIDJ 
PEK SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](O)(=O)OCCN)OC(=O)CCC\C=C/C/C=C\C\C=C/C/C=C\CCCCC 
PEK SMILES           CACTVS               3.341 CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC 
PEK SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC 
PEK SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC 
# 
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 
PEK "SYSTEMATIC NAME" ACDLabs              10.04 "(1R)-2-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate" 
PEK "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R)-1-(2-aminoethoxy-hydroxy-phosphoryl)oxy-3-octadecanoyloxy-propan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate"          
# 
