data_PLX
# 
_chem_comp.id                                    PLX 
_chem_comp.name                                  (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C42 H91 N O8 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    1 
_chem_comp.pdbx_initial_date                     2005-10-18 
_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                        769.148 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     PLX 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   Y 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1SQP 
_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 
PLX C23  C23  C 0 1 N N N 59.950 78.769 151.839 21.301  6.050  1.457  C23  PLX 1   
PLX C22  C22  C 0 1 N N N 59.423 78.217 153.165 20.538  4.784  1.062  C22  PLX 2   
PLX C21  C21  C 0 1 N N N 57.990 78.677 153.447 19.034  5.064  1.093  C21  PLX 3   
PLX C20  C20  C 0 1 N N N 56.957 77.621 153.041 18.271  3.798  0.698  C20  PLX 4   
PLX C19  C19  C 0 1 N N N 55.681 78.275 152.504 16.767  4.078  0.729  C19  PLX 5   
PLX C18  C18  C 0 1 N N N 54.665 77.236 152.023 16.004  2.812  0.334  C18  PLX 6   
PLX C17  C17  C 0 1 N N N 53.217 77.719 152.149 14.500  3.092  0.365  C17  PLX 7   
PLX C16  C16  C 0 1 N N N 52.665 78.287 150.843 13.738  1.826  -0.030 C16  PLX 8   
PLX C15  C15  C 0 1 N N N 52.678 79.817 150.830 12.234  2.106  0.001  C15  PLX 9   
PLX C14  C14  C 0 1 N N N 53.641 80.369 149.766 11.471  0.840  -0.394 C14  PLX 10  
PLX C13  C13  C 0 1 N N N 53.116 81.663 149.135 9.967   1.120  -0.363 C13  PLX 11  
PLX C12  C12  C 0 1 N N N 52.365 81.389 147.833 9.204   -0.146 -0.759 C12  PLX 12  
PLX C11  C11  C 0 1 N N N 51.344 82.481 147.514 7.701   0.134  -0.727 C11  PLX 13  
PLX C10  C10  C 0 1 N N N 50.159 81.927 146.717 6.938   -1.132 -1.123 C10  PLX 14  
PLX C9   C9   C 0 1 N N N 50.328 82.096 145.205 5.434   -0.852 -1.091 C9   PLX 15  
PLX C8   C8   C 0 1 N N N 49.358 83.144 144.672 4.671   -2.118 -1.487 C8   PLX 16  
PLX C7   C7   C 0 1 N N N 50.020 84.022 143.605 3.167   -1.838 -1.455 C7   PLX 17  
PLX C6   C6   C 0 1 N N S 50.321 85.460 144.099 2.405   -3.104 -1.851 C6   PLX 18  
PLX O7   O7   O 0 1 N N N 51.713 85.642 144.408 2.621   -4.117 -0.867 O7   PLX 19  
PLX O6   O6   O 0 1 N N N 49.793 86.472 143.194 1.008   -2.812 -1.935 O6   PLX 20  
PLX C4   C4   C 0 1 N N R 50.651 86.903 142.123 0.214   -3.901 -2.408 C4   PLX 21  
PLX C3   C3   C 0 1 N N N 50.062 86.526 140.776 -0.247  -4.750 -1.222 C3   PLX 22  
PLX O4   O4   O 0 1 N N N 48.655 86.698 140.763 -1.118  -3.977 -0.394 O4   PLX 23  
PLX P1   P1   P 0 1 N N N 47.834 85.898 139.651 -1.653  -4.800 1.019  P1   PLX 24  
PLX O1   O1   O 0 1 N N N 46.804 87.008 139.171 -2.804  -3.555 1.309  O1   PLX 25  
PLX C2   C2   C 0 1 N N N 47.290 87.907 138.197 -3.396  -3.602 2.609  C2   PLX 26  
PLX C1   C1   C 0 1 N N N 47.128 89.342 138.677 -4.287  -2.374 2.808  C1   PLX 27  
PLX N1   N1   N 1 1 N N N 46.050 90.078 137.976 -4.806  -2.364 4.182  N1   PLX 28  
PLX C1C  C1C  C 0 1 N N N 45.941 89.746 136.537 -3.693  -2.191 5.125  C1C  PLX 29  
PLX C1B  C1B  C 0 1 N N N 44.761 89.801 138.622 -5.757  -1.255 4.338  C1B  PLX 30  
PLX C1A  C1A  C 0 1 N N N 46.333 91.517 138.081 -5.488  -3.636 4.458  C1A  PLX 31  
PLX O2   O2   O 0 1 N N N 47.110 84.758 140.312 -0.072  -4.683 1.686  O2   PLX 32  
PLX C5   C5   C 0 1 N N N 50.805 88.408 142.165 -1.008  -3.357 -3.151 C5   PLX 33  
PLX O8   O8   O 0 1 N N N 51.138 88.859 143.479 -1.827  -2.617 -2.243 O8   PLX 34  
PLX C24  C24  C 0 1 N N S 50.190 89.781 144.064 -2.943  -1.973 -2.860 C24  PLX 35  
PLX O9   O9   O 0 1 N N N 49.444 90.518 143.086 -2.475  -0.999 -3.795 O9   PLX 36  
PLX C25  C25  C 0 1 N N N 50.920 90.756 144.997 -3.792  -1.286 -1.788 C25  PLX 37  
PLX C26  C26  C 0 1 N N N 49.970 91.293 146.063 -5.049  -0.699 -2.432 C26  PLX 38  
PLX C27  C27  C 0 1 N N N 50.698 91.905 147.254 -5.957  -0.120 -1.345 C27  PLX 39  
PLX C28  C28  C 0 1 N N N 49.891 91.658 148.524 -7.156  0.572  -1.996 C28  PLX 40  
PLX C29  C29  C 0 1 N N N 50.711 91.875 149.787 -8.063  1.150  -0.908 C29  PLX 41  
PLX C30  C30  C 0 1 N N N 51.260 90.561 150.361 -9.262  1.842  -1.559 C30  PLX 42  
PLX C31  C31  C 0 1 N N N 51.614 90.677 151.849 -10.170 2.420  -0.471 C31  PLX 43  
PLX C32  C32  C 0 1 N N N 53.033 91.218 152.074 -11.369 3.112  -1.122 C32  PLX 44  
PLX C33  C33  C 0 1 N N N 53.001 92.595 152.751 -12.276 3.691  -0.035 C33  PLX 45  
PLX C34  C34  C 0 1 N N N 53.824 93.633 151.974 -13.476 4.383  -0.686 C34  PLX 46  
PLX C35  C35  C 0 1 N N N 54.451 94.671 152.908 -14.383 4.961  0.402  C35  PLX 47  
PLX C36  C36  C 0 1 N N N 55.943 94.399 153.129 -15.582 5.653  -0.249 C36  PLX 48  
PLX C37  C37  C 0 1 N N N 56.263 94.182 154.610 -16.490 6.231  0.839  C37  PLX 49  
PLX C38  C38  C 0 1 N N N 56.910 95.427 155.227 -17.689 6.923  0.188  C38  PLX 50  
PLX C39  C39  C 0 1 N N N 57.424 95.156 156.637 -18.597 7.502  1.275  C39  PLX 51  
PLX O3   O3   O 0 1 N N N ?      ?      ?       -2.188  -5.623 2.431  O3   PLX 52  
PLX H231 H231 H 0 0 N N N 60.076 79.859 151.919 22.372  5.851  1.435  H231 PLX 53  
PLX H232 H232 H 0 0 N N N 60.919 78.304 151.608 21.065  6.850  0.756  H232 PLX 54  
PLX H233 H233 H 0 0 N N N 59.233 78.542 151.037 21.008  6.351  2.463  H233 PLX 55  
PLX H221 H221 H 0 0 N N N 59.437 77.118 153.119 20.830  4.483  0.056  H221 PLX 56  
PLX H222 H222 H 0 0 N N N 60.068 78.594 153.972 20.773  3.984  1.764  H222 PLX 57  
PLX H211 H211 H 0 0 N N N 57.889 78.871 154.525 18.741  5.365  2.099  H211 PLX 58  
PLX H212 H212 H 0 0 N N N 57.801 79.584 152.855 18.799  5.864  0.391  H212 PLX 59  
PLX H201 H201 H 0 0 N N N 57.389 76.983 152.256 18.564  3.497  -0.308 H201 PLX 60  
PLX H202 H202 H 0 0 N N N 56.698 77.025 153.929 18.506  2.998  1.400  H202 PLX 61  
PLX H191 H191 H 0 0 N N N 55.223 78.868 153.310 16.475  4.379  1.735  H191 PLX 62  
PLX H192 H192 H 0 0 N N N 55.956 78.907 151.647 16.532  4.878  0.027  H192 PLX 63  
PLX H181 H181 H 0 0 N N N 54.867 77.018 150.964 16.297  2.511  -0.672 H181 PLX 64  
PLX H182 H182 H 0 0 N N N 54.775 76.344 152.658 16.240  2.012  1.035  H182 PLX 65  
PLX H171 H171 H 0 0 N N N 52.592 76.865 152.447 14.208  3.393  1.371  H171 PLX 66  
PLX H172 H172 H 0 0 N N N 53.200 78.526 152.896 14.265  3.892  -0.337 H172 PLX 67  
PLX H161 H161 H 0 0 N N N 53.287 77.924 150.012 14.030  1.525  -1.036 H161 PLX 68  
PLX H162 H162 H 0 0 N N N 51.621 77.955 150.742 13.973  1.026  0.671  H162 PLX 69  
PLX H151 H151 H 0 0 N N N 51.663 80.177 150.608 11.941  2.407  1.007  H151 PLX 70  
PLX H152 H152 H 0 0 N N N 53.018 80.166 151.816 11.998  2.906  -0.701 H152 PLX 71  
PLX H141 H141 H 0 0 N N N 54.610 80.578 150.243 11.764  0.539  -1.400 H141 PLX 72  
PLX H142 H142 H 0 0 N N N 53.739 79.616 148.970 11.706  0.040  0.307  H142 PLX 73  
PLX H131 H131 H 0 0 N N N 52.430 82.149 149.844 9.675   1.421  0.643  H131 PLX 74  
PLX H132 H132 H 0 0 N N N 53.976 82.310 148.908 9.732   1.920  -1.065 H132 PLX 75  
PLX H121 H121 H 0 0 N N N 53.095 81.341 147.011 9.497   -0.447 -1.765 H121 PLX 76  
PLX H122 H122 H 0 0 N N N 51.821 80.440 147.949 9.440   -0.946 -0.057 H122 PLX 77  
PLX H111 H111 H 0 0 N N N 50.970 82.903 148.458 7.408   0.435  0.279  H111 PLX 78  
PLX H112 H112 H 0 0 N N N 51.840 83.251 146.906 7.465   0.934  -1.429 H112 PLX 79  
PLX H101 H101 H 0 0 N N N 50.065 80.853 146.937 7.230   -1.433 -2.128 H101 PLX 80  
PLX H102 H102 H 0 0 N N N 49.264 82.492 147.017 7.173   -1.932 -0.421 H102 PLX 81  
PLX H91  H91  H 0 1 N N N 51.358 82.417 144.991 5.141   -0.550 -0.085 H91  PLX 82  
PLX H92  H92  H 0 1 N N N 50.118 81.134 144.714 5.199   -0.052 -1.793 H92  PLX 83  
PLX H81  H81  H 0 1 N N N 48.492 82.633 144.226 4.964   -2.419 -2.493 H81  PLX 84  
PLX H82  H82  H 0 1 N N N 49.046 83.787 145.508 4.906   -2.918 -0.785 H82  PLX 85  
PLX H71  H71  H 0 1 N N N 50.971 83.552 143.313 2.875   -1.536 -0.449 H71  PLX 86  
PLX H72  H72  H 0 1 N N N 49.317 84.104 142.763 2.932   -1.038 -2.157 H72  PLX 87  
PLX H6   H6   H 0 1 N N N 49.782 85.599 145.048 2.761   -3.455 -2.819 H6   PLX 88  
PLX HO7  HO7  H 0 1 N N N 52.214 85.682 143.602 2.327   -3.872 0.021  HO7  PLX 89  
PLX H4   H4   H 0 1 N N N 51.626 86.410 142.250 0.807   -4.516 -3.086 H4   PLX 90  
PLX H31  H31  H 0 1 N N N 50.506 87.168 140.001 -0.778  -5.628 -1.588 H31  PLX 91  
PLX H32  H32  H 0 1 N N N 50.285 85.466 140.583 0.620   -5.065 -0.642 H32  PLX 92  
PLX HP1  HP1  H 0 1 N N N ?      ?      ?       -2.021  -5.965 0.201  HP1  PLX 93  
PLX H21  H21  H 0 1 N N N 48.356 87.704 138.017 -3.998  -4.507 2.701  H21  PLX 94  
PLX H22  H22  H 0 1 N N N 46.717 87.773 137.267 -2.612  -3.609 3.365  H22  PLX 95  
PLX H11  H11  H 0 1 N N N 46.887 89.320 139.750 -3.704  -1.470 2.633  H11  PLX 96  
PLX H12  H12  H 0 1 N N N 48.072 89.866 138.467 -5.119  -2.411 2.105  H12  PLX 97  
PLX H1C1 H1C1 H 0 0 N N N 45.914 90.674 135.947 -3.187  -1.247 4.920  H1C1 PLX 98  
PLX H1C2 H1C2 H 0 0 N N N 46.810 89.144 136.233 -4.078  -2.183 6.144  H1C2 PLX 99  
PLX H1C3 H1C3 H 0 0 N N N 45.018 89.174 136.362 -2.987  -3.013 5.009  H1C3 PLX 100 
PLX H1B1 H1B1 H 0 0 N N N 44.903 89.732 139.711 -6.583  -1.384 3.638  H1B1 PLX 101 
PLX H1B2 H1B2 H 0 0 N N N 44.055 90.614 138.396 -6.142  -1.247 5.358  H1B2 PLX 102 
PLX H1B3 H1B3 H 0 0 N N N 44.359 88.850 138.244 -5.251  -0.312 4.133  H1B3 PLX 103 
PLX H1A1 H1A1 H 0 0 N N N 46.404 91.801 139.141 -4.759  -4.447 4.454  H1A1 PLX 104 
PLX H1A2 H1A2 H 0 0 N N N 47.285 91.741 137.577 -5.970  -3.586 5.434  H1A2 PLX 105 
PLX H1A3 H1A3 H 0 0 N N N 45.522 92.086 137.603 -6.239  -3.819 3.690  H1A3 PLX 106 
PLX HO2  HO2  H 0 1 N N N 46.957 84.068 139.677 0.520   -4.097 1.194  HO2  PLX 107 
PLX H51  H51  H 0 1 N N N 51.608 88.703 141.474 -0.680  -2.704 -3.960 H51  PLX 108 
PLX H52  H52  H 0 1 N N N 49.848 88.864 141.872 -1.581  -4.187 -3.564 H52  PLX 109 
PLX H24  H24  H 0 1 N N N 49.467 89.175 144.630 -3.548  -2.716 -3.381 H24  PLX 110 
PLX HO9  HO9  H 0 1 N N N 48.567 90.681 143.413 -1.928  -0.306 -3.400 HO9  PLX 111 
PLX H251 H251 H 0 0 N N N 51.751 90.229 145.488 -4.078  -2.013 -1.029 H251 PLX 112 
PLX H252 H252 H 0 0 N N N 51.299 91.600 144.402 -3.213  -0.486 -1.326 H252 PLX 113 
PLX H261 H261 H 0 0 N N N 49.341 92.071 145.605 -4.766  0.092  -3.128 H261 PLX 114 
PLX H262 H262 H 0 0 N N N 49.378 90.445 146.437 -5.582  -1.483 -2.971 H262 PLX 115 
PLX H271 H271 H 0 0 N N N 51.691 91.442 147.354 -6.308  -0.925 -0.699 H271 PLX 116 
PLX H272 H272 H 0 0 N N N 50.813 92.988 147.097 -5.397  0.603  -0.752 H272 PLX 117 
PLX H281 H281 H 0 0 N N N 49.040 92.355 148.537 -6.804  1.376  -2.641 H281 PLX 118 
PLX H282 H282 H 0 0 N N N 49.561 90.609 148.514 -7.715  -0.152 -2.589 H282 PLX 119 
PLX H291 H291 H 0 0 N N N 51.560 92.531 149.544 -8.415  0.345  -0.262 H291 PLX 120 
PLX H292 H292 H 0 0 N N N 50.051 92.324 150.544 -7.504  1.874  -0.315 H292 PLX 121 
PLX H301 H301 H 0 0 N N N 50.493 89.781 150.244 -8.911  2.647  -2.205 H301 PLX 122 
PLX H302 H302 H 0 0 N N N 52.181 90.312 149.813 -9.822  1.118  -2.152 H302 PLX 123 
PLX H311 H311 H 0 0 N N N 50.899 91.364 152.325 -10.521 1.616  0.174  H311 PLX 124 
PLX H312 H312 H 0 0 N N N 51.565 89.669 152.286 -9.611  3.144  0.122  H312 PLX 125 
PLX H321 H321 H 0 0 N N N 53.584 90.517 152.718 -11.018 3.917  -1.768 H321 PLX 126 
PLX H322 H322 H 0 0 N N N 53.527 91.321 151.096 -11.928 2.389  -1.715 H322 PLX 127 
PLX H331 H331 H 0 0 N N N 51.957 92.939 152.801 -12.628 2.886  0.611  H331 PLX 128 
PLX H332 H332 H 0 0 N N N 53.438 92.493 153.755 -11.717 4.414  0.558  H332 PLX 129 
PLX H341 H341 H 0 0 N N N 54.628 93.113 151.433 -13.124 5.188  -1.332 H341 PLX 130 
PLX H342 H342 H 0 0 N N N 53.151 94.157 151.279 -14.035 3.659  -1.279 H342 PLX 131 
PLX H351 H351 H 0 0 N N N 54.335 95.668 152.458 -14.735 4.156  1.048  H351 PLX 132 
PLX H352 H352 H 0 0 N N N 53.941 94.614 153.881 -13.824 5.685  0.995  H352 PLX 133 
PLX H361 H361 H 0 0 N N N 56.224 93.494 152.570 -15.231 6.458  -0.895 H361 PLX 134 
PLX H362 H362 H 0 0 N N N 56.509 95.275 152.778 -16.142 4.929  -0.842 H362 PLX 135 
PLX H371 H371 H 0 0 N N N 55.329 93.963 155.148 -16.841 5.427  1.484  H371 PLX 136 
PLX H372 H372 H 0 0 N N N 56.970 93.343 154.695 -15.931 6.955  1.431  H372 PLX 137 
PLX H381 H381 H 0 0 N N N 57.757 95.735 154.596 -17.338 7.728  -0.458 H381 PLX 138 
PLX H382 H382 H 0 0 N N N 56.148 96.218 155.285 -18.248 6.200  -0.405 H382 PLX 139 
PLX H391 H391 H 0 0 N N N 58.522 95.091 156.621 -18.948 6.697  1.921  H391 PLX 140 
PLX H392 H392 H 0 0 N N N 57.115 95.975 157.303 -18.037 8.225  1.868  H392 PLX 141 
PLX H393 H393 H 0 0 N N N 57.006 94.207 157.003 -19.451 7.995  0.811  H393 PLX 142 
PLX HO3  HO3  H 0 1 N N N -0.488 -0.475 -0.661  -3.026  -6.093 2.319  HO3  PLX 143 
# 
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 
PLX C23 C22  SING N N 1   
PLX C23 H231 SING N N 2   
PLX C23 H232 SING N N 3   
PLX C23 H233 SING N N 4   
PLX C22 C21  SING N N 5   
PLX C22 H221 SING N N 6   
PLX C22 H222 SING N N 7   
PLX C21 C20  SING N N 8   
PLX C21 H211 SING N N 9   
PLX C21 H212 SING N N 10  
PLX C20 C19  SING N N 11  
PLX C20 H201 SING N N 12  
PLX C20 H202 SING N N 13  
PLX C19 C18  SING N N 14  
PLX C19 H191 SING N N 15  
PLX C19 H192 SING N N 16  
PLX C18 C17  SING N N 17  
PLX C18 H181 SING N N 18  
PLX C18 H182 SING N N 19  
PLX C17 C16  SING N N 20  
PLX C17 H171 SING N N 21  
PLX C17 H172 SING N N 22  
PLX C16 C15  SING N N 23  
PLX C16 H161 SING N N 24  
PLX C16 H162 SING N N 25  
PLX C15 C14  SING N N 26  
PLX C15 H151 SING N N 27  
PLX C15 H152 SING N N 28  
PLX C14 C13  SING N N 29  
PLX C14 H141 SING N N 30  
PLX C14 H142 SING N N 31  
PLX C13 C12  SING N N 32  
PLX C13 H131 SING N N 33  
PLX C13 H132 SING N N 34  
PLX C12 C11  SING N N 35  
PLX C12 H121 SING N N 36  
PLX C12 H122 SING N N 37  
PLX C11 C10  SING N N 38  
PLX C11 H111 SING N N 39  
PLX C11 H112 SING N N 40  
PLX C10 C9   SING N N 41  
PLX C10 H101 SING N N 42  
PLX C10 H102 SING N N 43  
PLX C9  C8   SING N N 44  
PLX C9  H91  SING N N 45  
PLX C9  H92  SING N N 46  
PLX C8  C7   SING N N 47  
PLX C8  H81  SING N N 48  
PLX C8  H82  SING N N 49  
PLX C7  C6   SING N N 50  
PLX C7  H71  SING N N 51  
PLX C7  H72  SING N N 52  
PLX C6  O7   SING N N 53  
PLX C6  O6   SING N N 54  
PLX C6  H6   SING N N 55  
PLX O7  HO7  SING N N 56  
PLX O6  C4   SING N N 57  
PLX C4  C3   SING N N 58  
PLX C4  C5   SING N N 59  
PLX C4  H4   SING N N 60  
PLX C3  O4   SING N N 61  
PLX C3  H31  SING N N 62  
PLX C3  H32  SING N N 63  
PLX O4  P1   SING N N 64  
PLX P1  O1   SING N N 65  
PLX P1  O2   SING N N 66  
PLX P1  O3   SING N N 67  
PLX P1  HP1  SING N N 68  
PLX O1  C2   SING N N 69  
PLX C2  C1   SING N N 70  
PLX C2  H21  SING N N 71  
PLX C2  H22  SING N N 72  
PLX C1  N1   SING N N 73  
PLX C1  H11  SING N N 74  
PLX C1  H12  SING N N 75  
PLX N1  C1C  SING N N 76  
PLX N1  C1B  SING N N 77  
PLX N1  C1A  SING N N 78  
PLX C1C H1C1 SING N N 79  
PLX C1C H1C2 SING N N 80  
PLX C1C H1C3 SING N N 81  
PLX C1B H1B1 SING N N 82  
PLX C1B H1B2 SING N N 83  
PLX C1B H1B3 SING N N 84  
PLX C1A H1A1 SING N N 85  
PLX C1A H1A2 SING N N 86  
PLX C1A H1A3 SING N N 87  
PLX O2  HO2  SING N N 88  
PLX C5  O8   SING N N 89  
PLX C5  H51  SING N N 90  
PLX C5  H52  SING N N 91  
PLX O8  C24  SING N N 92  
PLX C24 O9   SING N N 93  
PLX C24 C25  SING N N 94  
PLX C24 H24  SING N N 95  
PLX O9  HO9  SING N N 96  
PLX C25 C26  SING N N 97  
PLX C25 H251 SING N N 98  
PLX C25 H252 SING N N 99  
PLX C26 C27  SING N N 100 
PLX C26 H261 SING N N 101 
PLX C26 H262 SING N N 102 
PLX C27 C28  SING N N 103 
PLX C27 H271 SING N N 104 
PLX C27 H272 SING N N 105 
PLX C28 C29  SING N N 106 
PLX C28 H281 SING N N 107 
PLX C28 H282 SING N N 108 
PLX C29 C30  SING N N 109 
PLX C29 H291 SING N N 110 
PLX C29 H292 SING N N 111 
PLX C30 C31  SING N N 112 
PLX C30 H301 SING N N 113 
PLX C30 H302 SING N N 114 
PLX C31 C32  SING N N 115 
PLX C31 H311 SING N N 116 
PLX C31 H312 SING N N 117 
PLX C32 C33  SING N N 118 
PLX C32 H321 SING N N 119 
PLX C32 H322 SING N N 120 
PLX C33 C34  SING N N 121 
PLX C33 H331 SING N N 122 
PLX C33 H332 SING N N 123 
PLX C34 C35  SING N N 124 
PLX C34 H341 SING N N 125 
PLX C34 H342 SING N N 126 
PLX C35 C36  SING N N 127 
PLX C35 H351 SING N N 128 
PLX C35 H352 SING N N 129 
PLX C36 C37  SING N N 130 
PLX C36 H361 SING N N 131 
PLX C36 H362 SING N N 132 
PLX C37 C38  SING N N 133 
PLX C37 H371 SING N N 134 
PLX C37 H372 SING N N 135 
PLX C38 C39  SING N N 136 
PLX C38 H381 SING N N 137 
PLX C38 H382 SING N N 138 
PLX C39 H391 SING N N 139 
PLX C39 H392 SING N N 140 
PLX C39 H393 SING N N 141 
PLX O3  HO3  SING N N 142 
# 
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 
PLX SMILES           ACDLabs              10.04 O(CC(OC(O)CCCCCCCCCCCCCCCCC)COC(O)CCCCCCCCCCCCCCC)P(OCC[N+](C)(C)C)(O)O 
PLX InChI            InChI                1.02b 
InChI=1/C42H91NO8P/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/h40-42,44-47,52H,6-39H2,1-5H3/q+1/t40-,41+,42+/m1/s1 
PLX InChIKey         InChI                1.02b MCMOZQKNHUNLJO-IWSHAHEXBX 
PLX SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCCCCC[C@@H](O)O[C@H](CO[C@H](O)CCCCCCCCCCCCCCC)CO[PH](O)(O)OCC[N+](C)(C)C 
PLX SMILES           CACTVS               3.341 CCCCCCCCCCCCCCCCC[CH](O)O[CH](CO[CH](O)CCCCCCCCCCCCCCC)CO[PH](O)(O)OCC[N+](C)(C)C 
PLX SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCC[C@@H](O)O[C@H](CO[C@@H](CCCCCCCCCCCCCCC)O)COP(O)(O)OCC[N+](C)(C)C 
PLX SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCC(O)OC(COC(CCCCCCCCCCCCCCC)O)COP(O)(O)OCC[N+](C)(C)C 
# 
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 
PLX "SYSTEMATIC NAME" ACDLabs              10.04 (7R,9S)-4,4,9-trihydroxy-7-({[(1S)-1-hydroxyhexadecyl]oxy}methyl)-N,N,N-trimethyl-3,5,8-trioxa-4lambda~5~-phosphahexacosan-1-aminium 
PLX "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 2-[dihydroxy-[(2R)-3-[(1S)-1-hydroxyhexadecoxy]-2-[(1S)-1-hydroxyoctadecoxy]propoxy]phosphoranyl]oxyethyl-trimethyl-azanium          
# 
