data_CPL
# 
_chem_comp.id                                    CPL 
_chem_comp.name                                  1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C42 H80 N O8 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "PALMITOYL-LINOLEOYL PHOSPHATIDYLCHOLINE" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2002-05-10 
_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                        758.060 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     CPL 
_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        1LN3 
_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 
CPL C1   C1   C 0  1 N N N 50.947 116.768 79.998 -0.718  -4.205 1.826  C1   CPL 1   
CPL C2   C2   C 0  1 N N R 52.390 117.350 79.739 -1.219  -3.021 2.655  C2   CPL 2   
CPL C3   C3   C 0  1 N N N 53.353 117.041 80.918 -0.025  -2.289 3.272  C3   CPL 3   
CPL C4   C4   C 0  1 N N N 48.264 119.195 78.724 1.982   -5.738 -1.935 C4   CPL 4   
CPL C5   C5   C 0  1 N N N 47.552 120.278 77.910 2.908   -5.364 -3.094 C5   CPL 5   
CPL C6   C6   C 0  1 N N N 49.616 120.947 76.760 4.820   -6.121 -1.860 C6   CPL 6   
CPL C7   C7   C 0  1 N N N 47.421 121.612 75.967 5.098   -4.577 -3.675 C7   CPL 7   
CPL C8   C8   C 0  1 N N N 48.090 119.398 75.683 4.067   -3.855 -1.633 C8   CPL 8   
CPL C11  C11  C 0  1 N N N 55.776 116.768 80.105 2.033   -1.251 2.533  C11  CPL 9   
CPL C12  C12  C 0  1 N N N 57.057 117.447 79.557 2.998   -0.858 1.445  C12  CPL 10  
CPL C13  C13  C 0  1 N N N 57.346 117.141 78.053 4.191   -0.126 2.062  C13  CPL 11  
CPL C14  C14  C 0  1 N N N 57.189 118.356 77.103 5.171   0.274  0.957  C14  CPL 12  
CPL C15  C15  C 0  1 N N N 58.064 118.277 75.824 6.365   1.006  1.573  C15  CPL 13  
CPL C16  C16  C 0  1 N N N 57.299 118.779 74.567 7.345   1.406  0.468  C16  CPL 14  
CPL C17  C17  C 0  1 N N N 57.460 117.891 73.335 8.538   2.138  1.085  C17  CPL 15  
CPL C18  C18  C 0  1 N N N 56.935 116.414 73.556 9.518   2.537  -0.020 C18  CPL 16  
CPL C19  C19  C 0  1 N N N 56.784 115.508 72.260 10.712  3.269  0.597  C19  CPL 17  
CPL C20  C20  C 0  1 N N N 56.044 114.146 72.396 11.691  3.669  -0.508 C20  CPL 18  
CPL C21  C21  C 0  1 N N N 56.207 113.430 73.743 12.885  4.401  0.109  C21  CPL 19  
CPL C22  C22  C 0  1 N N N 56.514 111.931 73.574 13.865  4.801  -0.996 C22  CPL 20  
CPL C23  C23  C 0  1 N N N 55.815 110.985 74.520 15.058  5.533  -0.379 C23  CPL 21  
CPL C24  C24  C 0  1 N N N 56.404 110.990 75.952 16.038  5.932  -1.484 C24  CPL 22  
CPL C25  C25  C 0  1 N N N 56.921 109.602 76.359 17.232  6.664  -0.867 C25  CPL 23  
CPL C26  C26  C 0  1 N N N 56.364 109.204 77.703 18.211  7.064  -1.972 C26  CPL 24  
CPL C31  C31  C 0  1 N N N 52.387 117.433 77.094 -3.280  -2.264 1.635  C31  CPL 25  
CPL C32  C32  C 0  1 N N N 53.031 116.882 75.836 -4.045  -1.317 0.747  C32  CPL 26  
CPL C33  C33  C 0  1 N N N 52.069 115.881 75.120 -5.523  -1.713 0.733  C33  CPL 27  
CPL C34  C34  C 0  1 N N N 52.375 114.419 75.473 -6.300  -0.752 -0.169 C34  CPL 28  
CPL C35  C35  C 0  1 N N N 51.291 113.735 76.342 -7.778  -1.148 -0.183 C35  CPL 29  
CPL C36  C36  C 0  1 N N N 51.364 112.194 76.256 -8.555  -0.187 -1.085 C36  CPL 30  
CPL C37  C37  C 0  1 N N N 52.237 111.544 77.324 -10.033 -0.583 -1.098 C37  CPL 31  
CPL C38  C38  C 0  1 N N N 51.800 111.872 78.729 -10.810 0.378  -2.000 C38  CPL 32  
CPL C39  C39  C 0  1 N N N 53.021 112.375 79.523 -12.265 -0.012 -2.014 C39  CPL 33  
CPL C40  C40  C 0  1 N N N 52.976 112.888 80.766 -13.185 0.882  -1.746 C40  CPL 34  
CPL C41  C41  C 0  1 N N N 51.700 112.993 81.599 -12.806 2.333  -1.598 C41  CPL 35  
CPL C42  C42  C 0  1 N N N 51.574 111.704 82.425 -13.663 3.171  -2.511 C42  CPL 36  
CPL C43  C43  C 0  1 N N N 51.154 111.699 83.720 -14.333 4.188  -2.029 C43  CPL 37  
CPL C44  C44  C 0  1 N N N 50.800 112.970 84.470 -14.112 4.630  -0.606 C44  CPL 38  
CPL C45  C45  C 0  1 N N N 49.476 113.616 84.050 -13.784 6.124  -0.580 C45  CPL 39  
CPL C46  C46  C 0  1 N N N 48.509 113.706 85.223 -13.560 6.572  0.866  C46  CPL 40  
CPL C47  C47  C 0  1 N N N 48.242 112.371 85.862 -13.233 8.067  0.891  C47  CPL 41  
CPL C48  C48  C 0  1 N N N 46.828 112.292 86.442 -13.009 8.515  2.337  C48  CPL 42  
CPL N    N    N 1  1 N N N 48.190 120.541 76.577 4.223   -4.979 -2.566 N    CPL 43  
CPL O2   O2   O 0  1 N N N 52.863 116.909 78.411 -1.956  -2.108 1.799  O2   CPL 44  
CPL O3   O3   O 0  1 N N N 54.606 117.649 80.469 0.904   -1.909 2.224  O3   CPL 45  
CPL O11  O11  O 0  1 N N N 55.705 115.496 80.192 2.275   -0.975 3.684  O11  CPL 46  
CPL O31  O31  O 0  1 N N N 51.518 118.328 77.008 -3.857  -3.163 2.199  O31  CPL 47  
CPL O1P  O1P  O 0  1 N N N 47.843 116.583 80.540 1.473   -5.997 0.968  O1P  CPL 48  
CPL O2P  O2P  O -1 1 N N N 49.017 118.216 82.069 -0.520  -5.758 -0.561 O2P  CPL 49  
CPL O3P  O3P  O 0  1 N N N 49.953 117.838 79.693 0.229   -3.744 0.861  O3P  CPL 50  
CPL O4P  O4P  O 0  1 N N N 47.753 119.018 80.062 1.684   -4.570 -1.167 O4P  CPL 51  
CPL P    P    P 0  1 N N N 48.660 117.879 80.628 0.712   -5.035 0.029  P    CPL 52  
CPL HC11 1HC1 H 0  0 N N N 50.754 115.827 79.431 -0.242  -4.933 2.483  HC11 CPL 53  
CPL HC12 2HC1 H 0  0 N N N 50.829 116.351 81.025 -1.559  -4.673 1.316  HC12 CPL 54  
CPL HC2  HC2  H 0  1 N N N 52.357 118.464 79.708 -1.873  -3.383 3.449  HC2  CPL 55  
CPL HC31 1HC3 H 0  0 N N N 52.996 117.384 81.917 0.476   -2.946 3.982  HC31 CPL 56  
CPL HC32 2HC3 H 0  0 N N N 53.426 115.963 81.193 -0.375  -1.395 3.789  HC32 CPL 57  
CPL HC41 1HC4 H 0  0 N N N 48.253 118.225 78.173 2.474   -6.475 -1.300 HC41 CPL 58  
CPL HC42 2HC4 H 0  0 N N N 49.361 119.388 78.750 1.057   -6.159 -2.330 HC42 CPL 59  
CPL HC51 1HC5 H 0  0 N N N 46.470 120.034 77.788 3.020   -6.219 -3.760 HC51 CPL 60  
CPL HC52 2HC5 H 0  0 N N N 47.464 121.220 78.498 2.479   -4.527 -3.646 HC52 CPL 61  
CPL HC61 1HC6 H 0  0 N N N 50.089 121.142 75.769 4.937   -6.955 -2.552 HC61 CPL 62  
CPL HC62 2HC6 H 0  0 N N N 49.716 121.817 77.449 5.797   -5.836 -1.468 HC62 CPL 63  
CPL HC63 3HC6 H 0  0 N N N 50.189 120.199 77.356 4.171   -6.420 -1.037 HC63 CPL 64  
CPL HC71 1HC7 H 0  0 N N N 47.894 121.807 74.976 4.655   -3.730 -4.198 HC71 CPL 65  
CPL HC72 2HC7 H 0  0 N N N 46.329 121.393 75.901 6.074   -4.292 -3.283 HC72 CPL 66  
CPL HC73 3HC7 H 0  0 N N N 47.339 122.521 76.607 5.214   -5.411 -4.367 HC73 CPL 67  
CPL HC81 1HC8 H 0  0 N N N 48.563 119.593 74.692 3.572   -4.202 -0.726 HC81 CPL 68  
CPL HC82 2HC8 H 0  0 N N N 48.508 118.479 76.155 5.048   -3.453 -1.381 HC82 CPL 69  
CPL HC83 3HC8 H 0  0 N N N 47.030 119.070 75.565 3.464   -3.076 -2.101 HC83 CPL 70  
CPL H121 1H12 H 0  0 N N N 57.021 118.547 79.732 2.496   -0.200 0.734  H121 CPL 71  
CPL H122 2H12 H 0  0 N N N 57.939 117.183 80.186 3.347   -1.752 0.928  H122 CPL 72  
CPL H131 1H13 H 0  0 N N N 58.358 116.688 77.937 4.693   -0.783 2.772  H131 CPL 73  
CPL H132 2H13 H 0  0 N N N 56.714 116.291 77.702 3.842   0.768  2.578  H132 CPL 74  
CPL H141 1H14 H 0  0 N N N 56.117 118.506 76.834 4.670   0.931  0.246  H141 CPL 75  
CPL H142 2H14 H 0  0 N N N 57.382 119.307 77.650 5.521   -0.620 0.440  H142 CPL 76  
CPL H151 1H15 H 0  0 N N N 59.027 118.822 75.957 6.867   0.349  2.284  H151 CPL 77  
CPL H152 2H15 H 0  0 N N N 58.465 117.248 75.670 6.015   1.900  2.090  H152 CPL 78  
CPL H161 1H16 H 0  0 N N N 56.219 118.926 74.801 6.843   2.063  -0.242 H161 CPL 79  
CPL H162 2H16 H 0  0 N N N 57.587 119.829 74.329 7.694   0.512  -0.048 H162 CPL 80  
CPL H171 1H17 H 0  0 N N N 56.973 118.355 72.445 9.040   1.480  1.796  H171 CPL 81  
CPL H172 2H17 H 0  0 N N N 58.518 117.887 72.984 8.189   3.032  1.602  H172 CPL 82  
CPL H181 1H18 H 0  0 N N N 57.581 115.895 74.301 9.016   3.195  -0.730 H181 CPL 83  
CPL H182 2H18 H 0  0 N N N 55.966 116.440 74.108 9.868   1.643  -0.536 H182 CPL 84  
CPL H191 1H19 H 0  0 N N N 56.300 116.105 71.452 11.213  2.612  1.308  H191 CPL 85  
CPL H192 2H19 H 0  0 N N N 57.793 115.331 71.819 10.362  4.163  1.114  H192 CPL 86  
CPL H201 1H20 H 0  0 N N N 54.961 114.277 72.164 11.190  4.326  -1.218 H201 CPL 87  
CPL H202 2H20 H 0  0 N N N 56.344 113.465 71.565 12.041  2.775  -1.024 H202 CPL 88  
CPL H211 1H21 H 0  0 N N N 56.978 113.930 74.374 13.387  3.744  0.820  H211 CPL 89  
CPL H212 2H21 H 0  0 N N N 55.315 113.587 74.393 12.535  5.295  0.626  H212 CPL 90  
CPL H221 1H22 H 0  0 N N N 56.311 111.624 72.521 13.363  5.458  -1.706 H221 CPL 91  
CPL H222 2H22 H 0  0 N N N 57.615 111.766 73.626 14.214  3.907  -1.512 H222 CPL 92  
CPL H231 1H23 H 0  0 N N N 54.719 111.190 74.544 15.560  4.875  0.332  H231 CPL 93  
CPL H232 2H23 H 0  0 N N N 55.801 109.950 74.103 14.709  6.427  0.138  H232 CPL 94  
CPL H241 1H24 H 0  0 N N N 57.195 111.767 76.063 15.536  6.590  -2.194 H241 CPL 95  
CPL H242 2H24 H 0  0 N N N 55.668 111.383 76.692 16.388  5.039  -2.000 H242 CPL 96  
CPL H251 1H25 H 0  0 N N N 56.707 108.834 75.578 17.733  6.007  -0.156 H251 CPL 97  
CPL H252 2H25 H 0  0 N N N 58.034 109.552 76.340 16.882  7.558  -0.350 H252 CPL 98  
CPL H261 1H26 H 0  0 N N N 56.739 108.196 77.998 19.062  7.586  -1.532 H261 CPL 99  
CPL H262 2H26 H 0  0 N N N 56.577 109.971 78.483 18.561  6.170  -2.488 H262 CPL 100 
CPL H263 3H26 H 0  0 N N N 55.250 109.253 77.721 17.710  7.721  -2.682 H263 CPL 101 
CPL H321 1H32 H 0  0 N N N 53.365 117.696 75.151 -3.945  -0.301 1.127  H321 CPL 102 
CPL H322 2H32 H 0  0 N N N 54.024 116.422 76.046 -3.646  -1.367 -0.266 H322 CPL 103 
CPL H331 1H33 H 0  0 N N N 51.002 116.129 75.329 -5.623  -2.730 0.352  H331 CPL 104 
CPL H332 2H33 H 0  0 N N N 52.075 116.037 74.016 -5.922  -1.664 1.746  H332 CPL 105 
CPL H341 1H34 H 0  0 N N N 52.564 113.826 74.548 -6.200  0.264  0.212  H341 CPL 106 
CPL H342 2H34 H 0  0 N N N 53.374 114.336 75.959 -5.901  -0.802 -1.182 H342 CPL 107 
CPL H351 1H35 H 0  0 N N N 51.342 114.083 77.399 -7.878  -2.165 -0.563 H351 CPL 108 
CPL H352 2H35 H 0  0 N N N 50.272 114.106 76.083 -8.177  -1.098 0.830  H352 CPL 109 
CPL H361 1H36 H 0  0 N N N 50.339 111.754 76.271 -8.454  0.830  -0.704 H361 CPL 110 
CPL H362 2H36 H 0  0 N N N 51.692 111.876 75.239 -8.156  -0.237 -2.098 H362 CPL 111 
CPL H371 1H37 H 0  0 N N N 52.292 110.440 77.173 -10.133 -1.599 -1.479 H371 CPL 112 
CPL H372 2H37 H 0  0 N N N 53.310 111.804 77.171 -10.431 -0.533 -0.085 H372 CPL 113 
CPL H381 1H38 H 0  0 N N N 50.949 112.592 78.753 -10.709 1.395  -1.620 H381 CPL 114 
CPL H382 2H38 H 0  0 N N N 51.290 111.014 79.228 -10.411 0.329  -3.013 H382 CPL 115 
CPL H39  H39  H 0  1 N N N 54.060 112.366 79.154 -12.550 -1.028 -2.244 H39  CPL 116 
CPL H40  H40  H 0  1 N N N 53.974 113.218 81.098 -14.215 0.578  -1.631 H40  CPL 117 
CPL H411 1H41 H 0  0 N N N 51.666 113.914 82.226 -12.962 2.645  -0.565 H411 CPL 118 
CPL H412 2H41 H 0  0 N N N 50.795 113.202 80.981 -11.757 2.463  -1.863 H412 CPL 119 
CPL H42  H42  H 0  1 N N N 51.805 110.691 82.055 -13.724 2.934  -3.563 H42  CPL 120 
CPL H43  H43  H 0  1 N N N 51.101 110.685 84.152 -15.044 4.711  -2.653 H43  CPL 121 
CPL H441 1H44 H 0  0 N N N 50.807 112.784 85.569 -15.015 4.446  -0.024 H441 CPL 122 
CPL H442 2H44 H 0  0 N N N 51.631 113.708 84.392 -13.282 4.069  -0.176 H442 CPL 123 
CPL H451 1H45 H 0  0 N N N 49.638 114.612 83.575 -12.881 6.308  -1.162 H451 CPL 124 
CPL H452 2H45 H 0  0 N N N 49.018 113.085 83.182 -14.614 6.685  -1.010 H452 CPL 125 
CPL H461 1H46 H 0  0 N N N 48.864 114.446 85.977 -14.464 6.388  1.447  H461 CPL 126 
CPL H462 2H46 H 0  0 N N N 47.557 114.200 84.918 -12.731 6.011  1.296  H462 CPL 127 
CPL H471 1H47 H 0  0 N N N 48.436 111.534 85.151 -12.330 8.251  0.310  H471 CPL 128 
CPL H472 2H47 H 0  0 N N N 49.011 112.128 86.632 -14.062 8.628  0.462  H472 CPL 129 
CPL H481 1H48 H 0  0 N N N 46.630 111.302 86.915 -13.912 8.331  2.919  H481 CPL 130 
CPL H482 2H48 H 0  0 N N N 46.633 113.128 87.152 -12.179 7.954  2.767  H482 CPL 131 
CPL H483 3H48 H 0  0 N N N 46.059 112.534 85.672 -12.775 9.579  2.355  H483 CPL 132 
# 
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 
CPL C1  C2   SING N N 1   
CPL C1  O3P  SING N N 2   
CPL C1  HC11 SING N N 3   
CPL C1  HC12 SING N N 4   
CPL C2  C3   SING N N 5   
CPL C2  O2   SING N N 6   
CPL C2  HC2  SING N N 7   
CPL C3  O3   SING N N 8   
CPL C3  HC31 SING N N 9   
CPL C3  HC32 SING N N 10  
CPL C4  C5   SING N N 11  
CPL C4  O4P  SING N N 12  
CPL C4  HC41 SING N N 13  
CPL C4  HC42 SING N N 14  
CPL C5  N    SING N N 15  
CPL C5  HC51 SING N N 16  
CPL C5  HC52 SING N N 17  
CPL C6  N    SING N N 18  
CPL C6  HC61 SING N N 19  
CPL C6  HC62 SING N N 20  
CPL C6  HC63 SING N N 21  
CPL C7  N    SING N N 22  
CPL C7  HC71 SING N N 23  
CPL C7  HC72 SING N N 24  
CPL C7  HC73 SING N N 25  
CPL C8  N    SING N N 26  
CPL C8  HC81 SING N N 27  
CPL C8  HC82 SING N N 28  
CPL C8  HC83 SING N N 29  
CPL C11 C12  SING N N 30  
CPL C11 O3   SING N N 31  
CPL C11 O11  DOUB N N 32  
CPL C12 C13  SING N N 33  
CPL C12 H121 SING N N 34  
CPL C12 H122 SING N N 35  
CPL C13 C14  SING N N 36  
CPL C13 H131 SING N N 37  
CPL C13 H132 SING N N 38  
CPL C14 C15  SING N N 39  
CPL C14 H141 SING N N 40  
CPL C14 H142 SING N N 41  
CPL C15 C16  SING N N 42  
CPL C15 H151 SING N N 43  
CPL C15 H152 SING N N 44  
CPL C16 C17  SING N N 45  
CPL C16 H161 SING N N 46  
CPL C16 H162 SING N N 47  
CPL C17 C18  SING N N 48  
CPL C17 H171 SING N N 49  
CPL C17 H172 SING N N 50  
CPL C18 C19  SING N N 51  
CPL C18 H181 SING N N 52  
CPL C18 H182 SING N N 53  
CPL C19 C20  SING N N 54  
CPL C19 H191 SING N N 55  
CPL C19 H192 SING N N 56  
CPL C20 C21  SING N N 57  
CPL C20 H201 SING N N 58  
CPL C20 H202 SING N N 59  
CPL C21 C22  SING N N 60  
CPL C21 H211 SING N N 61  
CPL C21 H212 SING N N 62  
CPL C22 C23  SING N N 63  
CPL C22 H221 SING N N 64  
CPL C22 H222 SING N N 65  
CPL C23 C24  SING N N 66  
CPL C23 H231 SING N N 67  
CPL C23 H232 SING N N 68  
CPL C24 C25  SING N N 69  
CPL C24 H241 SING N N 70  
CPL C24 H242 SING N N 71  
CPL C25 C26  SING N N 72  
CPL C25 H251 SING N N 73  
CPL C25 H252 SING N N 74  
CPL C26 H261 SING N N 75  
CPL C26 H262 SING N N 76  
CPL C26 H263 SING N N 77  
CPL C31 C32  SING N N 78  
CPL C31 O2   SING N N 79  
CPL C31 O31  DOUB N N 80  
CPL C32 C33  SING N N 81  
CPL C32 H321 SING N N 82  
CPL C32 H322 SING N N 83  
CPL C33 C34  SING N N 84  
CPL C33 H331 SING N N 85  
CPL C33 H332 SING N N 86  
CPL C34 C35  SING N N 87  
CPL C34 H341 SING N N 88  
CPL C34 H342 SING N N 89  
CPL C35 C36  SING N N 90  
CPL C35 H351 SING N N 91  
CPL C35 H352 SING N N 92  
CPL C36 C37  SING N N 93  
CPL C36 H361 SING N N 94  
CPL C36 H362 SING N N 95  
CPL C37 C38  SING N N 96  
CPL C37 H371 SING N N 97  
CPL C37 H372 SING N N 98  
CPL C38 C39  SING N N 99  
CPL C38 H381 SING N N 100 
CPL C38 H382 SING N N 101 
CPL C39 C40  DOUB N Z 102 
CPL C39 H39  SING N N 103 
CPL C40 C41  SING N N 104 
CPL C40 H40  SING N N 105 
CPL C41 C42  SING N N 106 
CPL C41 H411 SING N N 107 
CPL C41 H412 SING N N 108 
CPL C42 C43  DOUB N Z 109 
CPL C42 H42  SING N N 110 
CPL C43 C44  SING N N 111 
CPL C43 H43  SING N N 112 
CPL C44 C45  SING N N 113 
CPL C44 H441 SING N N 114 
CPL C44 H442 SING N N 115 
CPL C45 C46  SING N N 116 
CPL C45 H451 SING N N 117 
CPL C45 H452 SING N N 118 
CPL C46 C47  SING N N 119 
CPL C46 H461 SING N N 120 
CPL C46 H462 SING N N 121 
CPL C47 C48  SING N N 122 
CPL C47 H471 SING N N 123 
CPL C47 H472 SING N N 124 
CPL C48 H481 SING N N 125 
CPL C48 H482 SING N N 126 
CPL C48 H483 SING N N 127 
CPL O1P P    DOUB N N 128 
CPL O2P P    SING N N 129 
CPL O3P P    SING N N 130 
CPL O4P P    SING N N 131 
# 
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 
CPL SMILES           ACDLabs              10.04 O=C(OCC(OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCC 
CPL InChI            InChI                1.02b 
InChI=1/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1 
CPL InChIKey         InChI                1.02b JLPULHDHAOZNQI-ZTIMHPMXBU 
CPL SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C/C=C\CCCCC 
CPL SMILES           CACTVS               3.341 CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC 
CPL SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC 
CPL SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=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 
CPL "SYSTEMATIC NAME" ACDLabs              10.04 "(2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl 2-(trimethylammonio)ethyl phosphate"  
CPL "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R)-3-hexadecanoyloxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-propyl] 2-trimethylazaniumylethyl phosphate" 
# 
