data_PC2
# 
_chem_comp.id                                    PC2 
_chem_comp.name                                  DI-STEAROYL-3-SN-PHOSPHATIDYLCHOLINE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C44 H89 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                     1999-08-31 
_chem_comp.pdbx_modified_date                    2012-08-20 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   OBS 
_chem_comp.pdbx_replaced_by                      PC1 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        791.153 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     PC2 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1EWF 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  EBI 
# 
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 
PC2 C1   C1   C 0 1 N N N 121.235 32.739 19.104 0.947   -4.549 -1.544 C1   PC2 1   
PC2 C2   C2   C 0 1 N N R 120.356 31.500 18.816 1.180   -3.535 -2.665 C2   PC2 2   
PC2 C3   C3   C 0 1 N N N 119.568 31.650 17.503 -0.165  -3.121 -3.267 C3   PC2 3   
PC2 C4   C4   C 0 1 N N N 121.205 33.400 23.182 -2.031  -4.319 2.810  C4   PC2 4   
PC2 C5   C5   C 0 1 N N N 120.728 33.401 24.674 -3.121  -3.329 3.226  C5   PC2 5   
PC2 C6   C6   C 0 1 N N N 122.072 35.346 25.394 -2.619  -3.593 5.557  C6   PC2 6   
PC2 C7   C7   C 0 1 N N N 120.292 34.461 26.780 -4.794  -2.846 4.875  C7   PC2 7   
PC2 C8   C8   C 0 1 N N N 119.736 35.662 24.847 -4.125  -5.114 4.475  C8   PC2 8   
PC2 C11  C11  C 0 1 N N N 117.221 32.516 17.064 -2.212  -2.104 -2.594 C11  PC2 9   
PC2 C12  C12  C 0 1 N N N 117.198 31.721 15.738 -3.110  -1.446 -1.578 C12  PC2 10  
PC2 C13  C13  C 0 1 N N N 116.145 32.257 14.732 -4.442  -1.080 -2.235 C13  PC2 11  
PC2 C14  C14  C 0 1 N N N 114.692 31.939 15.150 -5.353  -0.413 -1.202 C14  PC2 12  
PC2 C15  C15  C 0 1 N N N 113.654 33.001 14.715 -6.685  -0.046 -1.860 C15  PC2 13  
PC2 C16  C16  C 0 1 N N N 113.310 32.887 13.223 -7.596  0.621  -0.827 C16  PC2 14  
PC2 C17  C17  C 0 1 N N N 111.846 32.603 12.954 -8.929  0.988  -1.484 C17  PC2 15  
PC2 C18  C18  C 0 1 N N N 111.601 31.175 12.380 -9.840  1.655  -0.452 C18  PC2 16  
PC2 C19  C19  C 0 1 N N N 111.123 30.137 13.434 -11.172 2.021  -1.109 C19  PC2 17  
PC2 C20  C20  C 0 1 N N N 110.150 30.714 14.459 -12.083 2.688  -0.077 C20  PC2 18  
PC2 C21  C21  C 0 1 N N N 109.035 29.767 14.797 -13.415 3.055  -0.734 C21  PC2 19  
PC2 C22  C22  C 0 1 N N N 107.689 30.368 14.417 -14.327 3.722  0.298  C22  PC2 20  
PC2 C23  C23  C 0 1 N N N 107.108 31.182 15.547 -15.659 4.089  -0.359 C23  PC2 21  
PC2 C24  C24  C 0 1 N N N 105.810 30.574 16.064 -16.570 4.756  0.674  C24  PC2 22  
PC2 C25  C25  C 0 1 N N N 104.734 31.630 16.244 -17.902 5.123  0.017  C25  PC2 23  
PC2 C26  C26  C 0 1 N N N 103.447 30.995 16.691 -18.814 5.790  1.049  C26  PC2 24  
PC2 C27  C27  C 0 1 N N N 102.382 32.024 16.975 -20.146 6.156  0.392  C27  PC2 25  
PC2 C28  C28  C 0 1 N N N 101.409 32.282 15.810 -21.057 6.824  1.424  C28  PC2 26  
PC2 C31  C31  C 0 1 N N N 122.265 29.713 18.256 3.193   -2.374 -2.135 C31  PC2 27  
PC2 C32  C32  C 0 1 N N N 122.719 30.430 16.985 3.958   -1.194 -1.593 C32  PC2 28  
PC2 C33  C33  C 0 1 N N N 123.655 29.529 16.141 5.459   -1.459 -1.717 C33  PC2 29  
PC2 C34  C34  C 0 1 N N N 123.082 29.292 14.754 6.236   -0.261 -1.167 C34  PC2 30  
PC2 C35  C35  C 0 1 N N N 122.913 27.816 14.408 7.738   -0.526 -1.292 C35  PC2 31  
PC2 C36  C36  C 0 1 N N N 122.541 27.627 12.919 8.514   0.672  -0.742 C36  PC2 32  
PC2 C37  C37  C 0 1 N N N 121.192 28.221 12.542 10.016  0.407  -0.866 C37  PC2 33  
PC2 C38  C38  C 0 1 N N N 120.055 27.326 12.945 10.792  1.605  -0.316 C38  PC2 34  
PC2 C39  C39  C 0 1 N N N 118.752 27.801 12.328 12.294  1.341  -0.440 C39  PC2 35  
PC2 C40  C40  C 0 1 N N N 117.543 27.464 13.200 13.071  2.539  0.110  C40  PC2 36  
PC2 C41  C41  C 0 1 N N N 116.897 26.131 12.833 14.572  2.274  -0.015 C41  PC2 37  
PC2 C42  C42  C 0 1 N N N 115.389 26.197 12.994 15.349  3.472  0.535  C42  PC2 38  
PC2 C43  C43  C 0 1 N N N 114.873 25.007 13.766 16.851  3.207  0.411  C43  PC2 39  
PC2 C44  C44  C 0 1 N N N 113.548 25.320 14.416 17.627  4.405  0.961  C44  PC2 40  
PC2 C45  C45  C 0 1 N N N 112.964 24.126 15.143 19.129  4.140  0.836  C45  PC2 41  
PC2 C46  C46  C 0 1 N N N 111.467 24.303 15.304 19.905  5.338  1.387  C46  PC2 42  
PC2 C47  C47  C 0 1 N N N 110.972 23.732 16.607 21.407  5.074  1.262  C47  PC2 43  
PC2 C48  C48  C 0 1 N N N 109.552 24.190 16.938 22.183  6.272  1.812  C48  PC2 44  
PC2 N    N    N 1 1 N N N 120.725 34.725 25.400 -3.665  -3.720 4.533  N    PC2 45  
PC2 O2   O2   O 0 1 N N N 121.109 30.228 19.074 1.850   -2.365 -2.128 O2   PC2 46  
PC2 O3   O3   O 0 1 N N N 118.448 32.480 17.912 -1.026  -2.607 -2.217 O3   PC2 47  
PC2 O11  O11  O 0 1 N N N 116.229 33.216 17.411 -2.560  -2.178 -3.749 O11  PC2 48  
PC2 O31  O31  O 0 1 N N N 122.842 28.650 18.589 3.788   -3.329 -2.575 O31  PC2 49  
PC2 O1P  O1P  O 0 1 N N N 123.027 34.657 20.963 -0.854  -6.081 0.507  O1P  PC2 50  
PC2 O2P  O2P  O 0 1 N N N 120.836 35.518 20.050 1.005   -4.874 1.715  O2P  PC2 51  
PC2 O3P  O3P  O 0 1 N N N 121.125 33.001 20.535 0.059   -3.990 -0.573 O3P  PC2 52  
PC2 O4P  O4P  O 0 1 N N N 121.011 34.654 22.447 -1.424  -3.876 1.595  O4P  PC2 53  
PC2 P    P    P 0 1 N N N 121.502 34.465 20.981 -0.315  -4.735 0.804  P    PC2 54  
PC2 H12  H12  H 0 1 N N N 122.282 32.533 18.835 0.507   -5.456 -1.959 H12  PC2 55  
PC2 H11  H11  H 0 1 N N N 120.872 33.604 18.530 1.898   -4.791 -1.069 H11  PC2 56  
PC2 H2   H2   H 0 1 N N N 119.584 31.529 19.599 1.801   -3.986 -3.440 H2   PC2 57  
PC2 H32  H32  H 0 1 N N N 120.172 32.147 16.730 -0.004  -2.347 -4.017 H32  PC2 58  
PC2 H31  H31  H 0 1 N N N 119.226 30.674 17.129 -0.636  -3.987 -3.732 H31  PC2 59  
PC2 H42  H42  H 0 1 N N N 122.280 33.166 23.172 -1.275  -4.378 3.593  H42  PC2 60  
PC2 H41  H41  H 0 1 N N N 120.653 32.610 22.652 -2.473  -5.303 2.657  H41  PC2 61  
PC2 H52  H52  H 0 1 N N N 119.699 33.012 24.692 -2.695  -2.328 3.295  H52  PC2 62  
PC2 H51  H51  H 0 1 N N N 121.387 32.720 25.232 -3.919  -3.335 2.484  H51  PC2 63  
PC2 H63  H63  H 0 1 N N N 122.036 36.306 25.929 -2.278  -2.559 5.601  H63  PC2 64  
PC2 H62  H62  H 0 1 N N N 122.787 34.675 25.892 -3.023  -3.883 6.527  H62  PC2 65  
PC2 H61  H61  H 0 1 N N N 122.392 35.517 24.356 -1.781  -4.242 5.303  H61  PC2 66  
PC2 H73  H73  H 0 1 N N N 120.276 35.404 27.346 -5.570  -2.941 4.116  H73  PC2 67  
PC2 H72  H72  H 0 1 N N N 119.283 34.022 26.770 -5.198  -3.136 5.845  H72  PC2 68  
PC2 H71  H71  H 0 1 N N N 120.993 33.759 27.256 -4.453  -1.812 4.919  H71  PC2 69  
PC2 H83  H83  H 0 1 N N N 119.773 36.608 25.408 -3.269  -5.774 4.332  H83  PC2 70  
PC2 H82  H82  H 0 1 N N N 119.965 35.854 23.788 -4.629  -5.370 5.406  H82  PC2 71  
PC2 H81  H81  H 0 1 N N N 118.730 35.225 24.931 -4.818  -5.233 3.642  H81  PC2 72  
PC2 H122 H122 H 0 0 N N N 118.193 31.785 15.273 -3.289  -2.135 -0.752 H122 PC2 73  
PC2 H121 H121 H 0 0 N N N 116.966 30.670 15.963 -2.630  -0.544 -1.200 H121 PC2 74  
PC2 H132 H132 H 0 0 N N N 116.257 33.349 14.656 -4.262  -0.391 -3.060 H132 PC2 75  
PC2 H131 H131 H 0 0 N N N 116.335 31.800 13.750 -4.921  -1.983 -2.613 H131 PC2 76  
PC2 H142 H142 H 0 0 N N N 114.408 30.976 14.701 -5.532  -1.102 -0.377 H142 PC2 77  
PC2 H141 H141 H 0 0 N N N 114.660 31.856 16.246 -4.874  0.490  -0.825 H141 PC2 78  
PC2 H152 H152 H 0 0 N N N 112.735 32.862 15.304 -6.506  0.643  -2.685 H152 PC2 79  
PC2 H151 H151 H 0 0 N N N 114.066 34.002 14.910 -7.165  -0.949 -2.238 H151 PC2 80  
PC2 H162 H162 H 0 0 N N N 113.575 33.835 12.732 -7.776  -0.068 -0.002 H162 PC2 81  
PC2 H161 H161 H 0 0 N N N 113.907 32.071 12.791 -7.117  1.524  -0.449 H161 PC2 82  
PC2 H172 H172 H 0 0 N N N 111.290 32.702 13.898 -8.749  1.676  -2.310 H172 PC2 83  
PC2 H171 H171 H 0 0 N N N 111.473 33.341 12.229 -9.408  0.085  -1.862 H171 PC2 84  
PC2 H182 H182 H 0 0 N N N 110.835 31.246 11.594 -10.019 0.966  0.373  H182 PC2 85  
PC2 H181 H181 H 0 0 N N N 112.543 30.813 11.942 -9.361  2.558  -0.074 H181 PC2 86  
PC2 H192 H192 H 0 0 N N N 110.624 29.310 12.907 -10.993 2.710  -1.934 H192 PC2 87  
PC2 H191 H191 H 0 0 N N N 112.004 29.752 13.968 -11.651 1.118  -1.487 H191 PC2 88  
PC2 H202 H202 H 0 0 N N N 110.706 30.946 15.380 -12.263 2.000  0.749  H202 PC2 89  
PC2 H201 H201 H 0 0 N N N 109.715 31.638 14.050 -11.604 3.592  0.301  H201 PC2 90  
PC2 H212 H212 H 0 0 N N N 109.180 28.826 14.245 -13.236 3.744  -1.559 H212 PC2 91  
PC2 H211 H211 H 0 0 N N N 109.048 29.564 15.878 -13.895 2.152  -1.112 H211 PC2 92  
PC2 H222 H222 H 0 0 N N N 107.823 31.018 13.540 -14.506 3.033  1.124  H222 PC2 93  
PC2 H221 H221 H 0 0 N N N 106.992 29.554 14.167 -13.847 4.625  0.676  H221 PC2 94  
PC2 H232 H232 H 0 0 N N N 107.837 31.222 16.370 -15.480 4.778  -1.184 H232 PC2 95  
PC2 H231 H231 H 0 0 N N N 106.906 32.201 15.186 -16.138 3.186  -0.737 H231 PC2 96  
PC2 H242 H242 H 0 0 N N N 105.456 29.822 15.344 -16.750 4.067  1.499  H242 PC2 97  
PC2 H241 H241 H 0 0 N N N 106.003 30.091 17.033 -16.091 5.659  1.052  H241 PC2 98  
PC2 H252 H252 H 0 0 N N N 105.062 32.357 17.002 -17.723 5.812  -0.809 H252 PC2 99  
PC2 H251 H251 H 0 0 N N N 104.570 32.147 15.287 -18.382 4.220  -0.361 H251 PC2 100 
PC2 H262 H262 H 0 0 N N N 103.089 30.321 15.899 -18.993 5.101  1.874  H262 PC2 101 
PC2 H261 H261 H 0 0 N N N 103.635 30.416 17.607 -18.334 6.693  1.427  H261 PC2 102 
PC2 H272 H272 H 0 0 N N N 101.796 31.681 17.841 -19.966 6.845  -0.434 H272 PC2 103 
PC2 H271 H271 H 0 0 N N N 102.880 32.973 17.222 -20.625 5.253  0.014  H271 PC2 104 
PC2 H283 H283 H 0 0 N N N 100.672 33.043 16.108 -22.006 7.085  0.956  H283 PC2 105 
PC2 H282 H282 H 0 0 N N N 101.971 32.640 14.935 -21.236 6.135  2.250  H282 PC2 106 
PC2 H281 H281 H 0 0 N N N 100.888 31.348 15.554 -20.578 7.727  1.802  H281 PC2 107 
PC2 H322 H322 H 0 0 N N N 121.835 30.692 16.385 3.698   -0.301 -2.161 H322 PC2 108 
PC2 H321 H321 H 0 0 N N N 123.258 31.348 17.263 3.701   -1.045 -0.544 H321 PC2 109 
PC2 H332 H332 H 0 0 N N N 124.635 30.019 16.046 5.719   -2.352 -1.149 H332 PC2 110 
PC2 H331 H331 H 0 0 N N N 123.777 28.561 16.650 5.716   -1.608 -2.766 H331 PC2 111 
PC2 H342 H342 H 0 0 N N N 122.097 29.778 14.697 5.976   0.632  -1.735 H342 PC2 112 
PC2 H341 H341 H 0 0 N N N 123.759 29.747 14.016 5.979   -0.112 -0.118 H341 PC2 113 
PC2 H352 H352 H 0 0 N N N 123.858 27.290 14.611 7.997   -1.419 -0.723 H352 PC2 114 
PC2 H351 H351 H 0 0 N N N 122.115 27.390 15.034 7.995   -0.675 -2.340 H351 PC2 115 
PC2 H362 H362 H 0 0 N N N 123.316 28.109 12.304 8.254   1.566  -1.310 H362 PC2 116 
PC2 H361 H361 H 0 0 N N N 122.518 26.549 12.702 8.257   0.821  0.307  H361 PC2 117 
PC2 H372 H372 H 0 0 N N N 121.077 29.192 13.047 10.276  -0.486 -0.298 H372 PC2 118 
PC2 H371 H371 H 0 0 N N N 121.160 28.368 11.452 10.273  0.258  -1.915 H371 PC2 119 
PC2 H382 H382 H 0 0 N N N 120.264 26.301 12.603 10.533  2.499  -0.884 H382 PC2 120 
PC2 H381 H381 H 0 0 N N N 119.960 27.335 14.041 10.535  1.755  0.733  H381 PC2 121 
PC2 H392 H392 H 0 0 N N N 118.800 28.892 12.195 12.554  0.447  0.128  H392 PC2 122 
PC2 H391 H391 H 0 0 N N N 118.627 27.318 11.348 12.551  1.192  -1.489 H391 PC2 123 
PC2 H402 H402 H 0 0 N N N 117.869 27.418 14.249 12.811  3.432  -0.458 H402 PC2 124 
PC2 H401 H401 H 0 0 N N N 116.794 28.261 13.083 12.814  2.688  1.158  H401 PC2 125 
PC2 H412 H412 H 0 0 N N N 117.137 25.890 11.787 14.832  1.381  0.553  H412 PC2 126 
PC2 H411 H411 H 0 0 N N N 117.295 25.345 13.491 14.829  2.125  -1.064 H411 PC2 127 
PC2 H422 H422 H 0 0 N N N 115.125 27.118 13.535 15.089  4.365  -0.033 H422 PC2 128 
PC2 H421 H421 H 0 0 N N N 114.921 26.210 11.998 15.092  3.621  1.584  H421 PC2 129 
PC2 H432 H432 H 0 0 N N N 114.745 24.159 13.077 17.110  2.314  0.979  H432 PC2 130 
PC2 H431 H431 H 0 0 N N N 115.602 24.740 14.545 17.108  3.058  -0.638 H431 PC2 131 
PC2 H442 H442 H 0 0 N N N 113.693 26.137 15.138 17.367  5.298  0.393  H442 PC2 132 
PC2 H441 H441 H 0 0 N N N 112.840 25.640 13.638 17.370  4.554  2.010  H441 PC2 133 
PC2 H452 H452 H 0 0 N N N 113.163 23.213 14.563 19.388  3.247  1.405  H452 PC2 134 
PC2 H451 H451 H 0 0 N N N 113.430 24.039 16.136 19.386  3.991  -0.212 H451 PC2 135 
PC2 H462 H462 H 0 0 N N N 111.230 25.377 15.273 19.646  6.232  0.818  H462 PC2 136 
PC2 H461 H461 H 0 0 N N N 110.957 23.791 14.475 19.648  5.487  2.435  H461 PC2 137 
PC2 H472 H472 H 0 0 N N N 110.983 22.634 16.539 21.667  4.180  1.830  H472 PC2 138 
PC2 H471 H471 H 0 0 N N N 111.646 24.056 17.414 21.664  4.924  0.213  H471 PC2 139 
PC2 H483 H483 H 0 0 N N N 109.237 23.748 17.895 23.253  6.083  1.724  H483 PC2 140 
PC2 H482 H482 H 0 0 N N N 109.530 25.287 17.016 21.924  7.165  1.244  H482 PC2 141 
PC2 H481 H481 H 0 0 N N N 108.867 23.865 16.141 21.927  6.421  2.861  H481 PC2 142 
PC2 HOP2 HOP2 H 0 0 N N N 121.507 36.066 19.660 1.413   -4.029 1.949  HOP2 PC2 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 
PC2 C1  C2   SING N N 1   
PC2 C1  O3P  SING N N 2   
PC2 C1  H12  SING N N 3   
PC2 C1  H11  SING N N 4   
PC2 C2  C3   SING N N 5   
PC2 C2  O2   SING N N 6   
PC2 C2  H2   SING N N 7   
PC2 C3  O3   SING N N 8   
PC2 C3  H32  SING N N 9   
PC2 C3  H31  SING N N 10  
PC2 C4  C5   SING N N 11  
PC2 C4  O4P  SING N N 12  
PC2 C4  H42  SING N N 13  
PC2 C4  H41  SING N N 14  
PC2 C5  N    SING N N 15  
PC2 C5  H52  SING N N 16  
PC2 C5  H51  SING N N 17  
PC2 C6  N    SING N N 18  
PC2 C6  H63  SING N N 19  
PC2 C6  H62  SING N N 20  
PC2 C6  H61  SING N N 21  
PC2 C7  N    SING N N 22  
PC2 C7  H73  SING N N 23  
PC2 C7  H72  SING N N 24  
PC2 C7  H71  SING N N 25  
PC2 C8  N    SING N N 26  
PC2 C8  H83  SING N N 27  
PC2 C8  H82  SING N N 28  
PC2 C8  H81  SING N N 29  
PC2 C11 C12  SING N N 30  
PC2 C11 O3   SING N N 31  
PC2 C11 O11  DOUB N N 32  
PC2 C12 C13  SING N N 33  
PC2 C12 H122 SING N N 34  
PC2 C12 H121 SING N N 35  
PC2 C13 C14  SING N N 36  
PC2 C13 H132 SING N N 37  
PC2 C13 H131 SING N N 38  
PC2 C14 C15  SING N N 39  
PC2 C14 H142 SING N N 40  
PC2 C14 H141 SING N N 41  
PC2 C15 C16  SING N N 42  
PC2 C15 H152 SING N N 43  
PC2 C15 H151 SING N N 44  
PC2 C16 C17  SING N N 45  
PC2 C16 H162 SING N N 46  
PC2 C16 H161 SING N N 47  
PC2 C17 C18  SING N N 48  
PC2 C17 H172 SING N N 49  
PC2 C17 H171 SING N N 50  
PC2 C18 C19  SING N N 51  
PC2 C18 H182 SING N N 52  
PC2 C18 H181 SING N N 53  
PC2 C19 C20  SING N N 54  
PC2 C19 H192 SING N N 55  
PC2 C19 H191 SING N N 56  
PC2 C20 C21  SING N N 57  
PC2 C20 H202 SING N N 58  
PC2 C20 H201 SING N N 59  
PC2 C21 C22  SING N N 60  
PC2 C21 H212 SING N N 61  
PC2 C21 H211 SING N N 62  
PC2 C22 C23  SING N N 63  
PC2 C22 H222 SING N N 64  
PC2 C22 H221 SING N N 65  
PC2 C23 C24  SING N N 66  
PC2 C23 H232 SING N N 67  
PC2 C23 H231 SING N N 68  
PC2 C24 C25  SING N N 69  
PC2 C24 H242 SING N N 70  
PC2 C24 H241 SING N N 71  
PC2 C25 C26  SING N N 72  
PC2 C25 H252 SING N N 73  
PC2 C25 H251 SING N N 74  
PC2 C26 C27  SING N N 75  
PC2 C26 H262 SING N N 76  
PC2 C26 H261 SING N N 77  
PC2 C27 C28  SING N N 78  
PC2 C27 H272 SING N N 79  
PC2 C27 H271 SING N N 80  
PC2 C28 H283 SING N N 81  
PC2 C28 H282 SING N N 82  
PC2 C28 H281 SING N N 83  
PC2 C31 C32  SING N N 84  
PC2 C31 O2   SING N N 85  
PC2 C31 O31  DOUB N N 86  
PC2 C32 C33  SING N N 87  
PC2 C32 H322 SING N N 88  
PC2 C32 H321 SING N N 89  
PC2 C33 C34  SING N N 90  
PC2 C33 H332 SING N N 91  
PC2 C33 H331 SING N N 92  
PC2 C34 C35  SING N N 93  
PC2 C34 H342 SING N N 94  
PC2 C34 H341 SING N N 95  
PC2 C35 C36  SING N N 96  
PC2 C35 H352 SING N N 97  
PC2 C35 H351 SING N N 98  
PC2 C36 C37  SING N N 99  
PC2 C36 H362 SING N N 100 
PC2 C36 H361 SING N N 101 
PC2 C37 C38  SING N N 102 
PC2 C37 H372 SING N N 103 
PC2 C37 H371 SING N N 104 
PC2 C38 C39  SING N N 105 
PC2 C38 H382 SING N N 106 
PC2 C38 H381 SING N N 107 
PC2 C39 C40  SING N N 108 
PC2 C39 H392 SING N N 109 
PC2 C39 H391 SING N N 110 
PC2 C40 C41  SING N N 111 
PC2 C40 H402 SING N N 112 
PC2 C40 H401 SING N N 113 
PC2 C41 C42  SING N N 114 
PC2 C41 H412 SING N N 115 
PC2 C41 H411 SING N N 116 
PC2 C42 C43  SING N N 117 
PC2 C42 H422 SING N N 118 
PC2 C42 H421 SING N N 119 
PC2 C43 C44  SING N N 120 
PC2 C43 H432 SING N N 121 
PC2 C43 H431 SING N N 122 
PC2 C44 C45  SING N N 123 
PC2 C44 H442 SING N N 124 
PC2 C44 H441 SING N N 125 
PC2 C45 C46  SING N N 126 
PC2 C45 H452 SING N N 127 
PC2 C45 H451 SING N N 128 
PC2 C46 C47  SING N N 129 
PC2 C46 H462 SING N N 130 
PC2 C46 H461 SING N N 131 
PC2 C47 C48  SING N N 132 
PC2 C47 H472 SING N N 133 
PC2 C47 H471 SING N N 134 
PC2 C48 H483 SING N N 135 
PC2 C48 H482 SING N N 136 
PC2 C48 H481 SING N N 137 
PC2 O1P P    DOUB N N 138 
PC2 O2P P    SING N N 139 
PC2 O2P HOP2 SING N N 140 
PC2 O3P P    SING N N 141 
PC2 O4P P    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 
PC2 SMILES           ACDLabs              12.01 "O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCCCC" 
PC2 InChI            InChI                1.03  
"InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/p+1/t42-/m1/s1" 
PC2 InChIKey         InChI                1.03  NRJAVPSFFCBXDT-HUESYALOSA-O 
PC2 SMILES_CANONICAL CACTVS               3.370 "CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC" 
PC2 SMILES           CACTVS               3.370 "CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC" 
PC2 SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC" 
PC2 SMILES           "OpenEye OEToolkits" 1.7.6 "CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC" 
# 
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 
PC2 "SYSTEMATIC NAME" ACDLabs              12.01 "(4S,7R)-4-hydroxy-N,N,N-trimethyl-7-(octadecanoyloxy)-10-oxo-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide" 
PC2 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "2-[[(2R)-2,3-di(octadecanoyloxy)propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium"                         
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
PC2 "Create component"   1999-08-31 RCSB 
PC2 "Other modification" 2012-08-20 RCSB 
# 
