data_PC1
# 
_chem_comp.id                                    PC1 
_chem_comp.name                                  1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C44 H88 N O8 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         3-SN-PHOSPHATIDYLCHOLINE 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2003-07-09 
_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                         PC2 
_chem_comp.formula_weight                        790.145 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     PC1 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   Y 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1P84 
_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 
PC1 O12  O12  O -1 1 N N N -30.691 27.601 -11.216 -4.835  10.111 -8.794  O12  PC1 1   
PC1 P    P    P 0  1 N N N -29.870 28.450 -12.350 -6.186  10.774 -8.629  P    PC1 2   
PC1 O14  O14  O 0  1 N N N -28.319 28.294 -11.958 -6.334  12.267 -8.832  O14  PC1 3   
PC1 O13  O13  O 0  1 N N N -30.360 27.732 -13.777 -7.275  10.016 -9.587  O13  PC1 4   
PC1 C11  C11  C 0  1 N N N -30.060 26.320 -14.110 -7.528  8.635  -9.391  C11  PC1 5   
PC1 C12  C12  C 0  1 N N N -29.240 25.551 -13.039 -8.565  8.161  -10.390 C12  PC1 6   
PC1 N    N    N 1  1 N N N -29.771 24.382 -12.186 -8.852  6.724  -10.154 N    PC1 7   
PC1 C13  C13  C 0  1 N N N -30.153 23.237 -13.107 -9.362  6.498  -8.724  C13  PC1 8   
PC1 C14  C14  C 0  1 N N N -28.730 23.881 -11.257 -9.923  6.216  -11.129 C14  PC1 9   
PC1 C15  C15  C 0  1 N N N -31.023 24.735 -11.394 -7.588  5.877  -10.350 C15  PC1 10  
PC1 O11  O11  O 0  1 N N N -30.179 30.025 -11.960 -6.771  10.371 -7.157  O11  PC1 11  
PC1 C1   C1   C 0  1 N N N -29.166 30.860 -11.322 -8.041  10.873 -6.756  C1   PC1 12  
PC1 C2   C2   C 0  1 N N R -29.343 32.246 -10.979 -8.379  10.370 -5.358  C2   PC1 13  
PC1 O21  O21  O 0  1 N N N -29.361 32.601 -9.581  -7.357  10.800 -4.456  O21  PC1 14  
PC1 C21  C21  C 0  1 N N N -28.070 33.381 -9.258  -7.188  12.153 -4.358  C21  PC1 15  
PC1 O22  O22  O 0  1 N N N -26.872 32.885 -9.184  -7.827  13.001 -4.966  O22  PC1 16  
PC1 C22  C22  C 0  1 N N N -28.464 34.825 -9.015  -6.077  12.439 -3.373  C22  PC1 17  
PC1 C23  C23  C 0  1 N N N -29.552 35.192 -7.982  -5.844  13.939 -3.192  C23  PC1 18  
PC1 C24  C24  C 0  1 N N N -29.195 36.544 -7.299  -4.748  14.209 -2.161  C24  PC1 19  
PC1 C25  C25  C 0  1 N N N -29.118 37.814 -8.155  -4.523  15.699 -1.887  C25  PC1 20  
PC1 C26  C26  C 0  1 N N N -28.471 38.925 -7.418  -3.477  15.968 -0.802  C26  PC1 21  
PC1 C27  C27  C 0  1 N N N -29.124 40.350 -7.741  -3.271  17.470 -0.594  C27  PC1 22  
PC1 C28  C28  C 0  1 N N N -29.052 41.305 -6.494  -2.226  17.802 0.476   C28  PC1 23  
PC1 C29  C29  C 0  1 N N N -28.894 42.838 -6.793  -1.931  19.291 0.686   C29  PC1 24  
PC1 C2A  C2A  C 0  1 N N N ?       ?      ?       -0.820  19.555 1.705   C2A  PC1 25  
PC1 C2B  C2B  C 0  1 N N N ?       ?      ?       -0.553  21.055 1.853   C2B  PC1 26  
PC1 C2C  C2C  C 0  1 N N N ?       ?      ?       0.571   21.378 2.843   C2C  PC1 27  
PC1 C2D  C2D  C 0  1 N N N ?       ?      ?       0.819   22.879 3.009   C2D  PC1 28  
PC1 C2E  C2E  C 0  1 N N N ?       ?      ?       1.935   23.202 4.008   C2E  PC1 29  
PC1 C2F  C2F  C 0  1 N N N ?       ?      ?       2.167   24.704 4.195   C2F  PC1 30  
PC1 C2G  C2G  C 0  1 N N N ?       ?      ?       3.337   24.966 5.147   C2G  PC1 31  
PC1 C2H  C2H  C 0  1 N N N ?       ?      ?       3.600   26.454 5.389   C2H  PC1 32  
PC1 C2I  C2I  C 0  1 N N N ?       ?      ?       4.778   26.720 6.314   C2I  PC1 33  
PC1 C3   C3   C 0  1 N N N -30.781 32.520 -11.551 -8.436  8.849  -5.312  C3   PC1 34  
PC1 O31  O31  O 0  1 N N N -31.217 33.880 -11.310 -8.728  8.434  -3.974  O31  PC1 35  
PC1 C31  C31  C 0  1 N N N -32.554 34.082 -11.983 -8.810  7.084  -3.780  C31  PC1 36  
PC1 O32  O32  O 0  1 N N N -33.217 33.231 -12.686 -8.658  6.226  -4.639  O32  PC1 37  
PC1 C32  C32  C 0  1 N N N -33.052 35.554 -11.734 -9.124  6.817  -2.326  C32  PC1 38  
PC1 C33  C33  C 0  1 N N N -31.949 36.456 -12.145 -9.210  5.321  -2.025  C33  PC1 39  
PC1 C34  C34  C 0  1 N N N -31.720 37.698 -11.329 -9.484  5.069  -0.541  C34  PC1 40  
PC1 C35  C35  C 0  1 N N N -30.547 38.465 -11.993 -9.509  3.583  -0.170  C35  PC1 41  
PC1 C36  C36  C 0  1 N N N -30.693 40.011 -11.979 -9.711  3.333  1.327   C36  PC1 42  
PC1 C37  C37  C 0  1 N N N -29.233 40.484 -12.118 -9.759  1.834  1.634   C37  PC1 43  
PC1 C38  C38  C 0  1 N N N -29.003 41.815 -12.838 -9.969  1.521  3.119   C38  PC1 44  
PC1 C39  C39  C 0  1 N N N -28.470 42.853 -11.850 -10.088 0.037  3.480   C39  PC1 45  
PC1 C3A  C3A  C 0  1 N N N -28.120 44.141 -12.424 -10.381 -0.209 4.962   C3A  PC1 46  
PC1 C3B  C3B  C 0  1 N N N -26.715 44.615 -12.185 -10.515 -1.706 5.257   C3B  PC1 47  
PC1 C3C  C3C  C 0  1 N N N ?       ?      ?       -10.836 -2.009 6.724   C3C  PC1 48  
PC1 C3D  C3D  C 0  1 N N N ?       ?      ?       -10.943 -3.507 7.022   C3D  PC1 49  
PC1 C3E  C3E  C 0  1 N N N ?       ?      ?       -11.252 -3.811 8.492   C3E  PC1 50  
PC1 C3F  C3F  C 0  1 N N N ?       ?      ?       -11.334 -5.309 8.798   C3F  PC1 51  
PC1 C3G  C3G  C 0  1 N N N ?       ?      ?       -11.714 -5.553 10.261  C3G  PC1 52  
PC1 C3H  C3H  C 0  1 N N N ?       ?      ?       -11.789 -7.037 10.629  C3H  PC1 53  
PC1 C3I  C3I  C 0  1 N N N ?       ?      ?       -12.192 -7.284 12.074  C3I  PC1 54  
PC1 H111 1H11 H 0  0 N N N -31.019 25.796 -14.235 -7.905  8.502  -8.372  H111 PC1 55  
PC1 H112 2H11 H 0  0 N N N -29.440 26.341 -15.019 -6.587  8.083  -9.492  H112 PC1 56  
PC1 H121 1H12 H 0  0 N N N -28.391 25.125 -13.594 -8.210  8.240  -11.421 H121 PC1 57  
PC1 H122 2H12 H 0  0 N N N -29.119 26.330 -12.272 -9.512  8.694  -10.272 H122 PC1 58  
PC1 H131 1H13 H 0  0 N N N -30.245 23.610 -14.138 -10.222 7.152  -8.569  H131 PC1 59  
PC1 H132 2H13 H 0  0 N N N -29.376 22.459 -13.067 -9.645  5.447  -8.633  H132 PC1 60  
PC1 H133 3H13 H 0  0 N N N -31.115 22.812 -12.784 -8.550  6.746  -8.037  H133 PC1 61  
PC1 H141 1H14 H 0  0 N N N -27.782 23.757 -11.801 -9.551  5.296  -11.584 H141 PC1 62  
PC1 H142 2H14 H 0  0 N N N -28.591 24.602 -10.438 -10.834 6.030  -10.557 H142 PC1 63  
PC1 H143 3H14 H 0  0 N N N -29.044 22.912 -10.843 -10.083 6.990  -11.882 H143 PC1 64  
PC1 H151 1H15 H 0  0 N N N -30.771 24.820 -10.327 -7.138  6.163  -11.303 H151 PC1 65  
PC1 H152 2H15 H 0  0 N N N -31.426 25.694 -11.753 -6.912  6.087  -9.519  H152 PC1 66  
PC1 H153 3H15 H 0  0 N N N -31.777 23.946 -11.530 -7.887  4.827  -10.357 H153 PC1 67  
PC1 H11  1H1  H 0  1 N N N -28.956 30.361 -10.365 -7.999  11.966 -6.792  H11  PC1 68  
PC1 H12  2H1  H 0  1 N N N -28.418 30.935 -12.125 -8.775  10.524 -7.489  H12  PC1 69  
PC1 H2   H2   H 0  1 N N N -28.490 32.822 -11.368 -9.319  10.802 -4.998  H2   PC1 70  
PC1 H221 1H22 H 0  0 N N N -27.548 35.332 -8.677  -5.161  11.965 -3.744  H221 PC1 71  
PC1 H222 2H22 H 0  0 N N N -28.919 35.123 -9.971  -6.349  11.988 -2.412  H222 PC1 72  
PC1 H231 1H23 H 0  0 N N N -30.522 35.286 -8.492  -5.572  14.379 -4.158  H231 PC1 73  
PC1 H232 2H23 H 0  0 N N N -29.609 34.403 -7.218  -6.778  14.421 -2.876  H232 PC1 74  
PC1 H241 1H24 H 0  0 N N N -29.974 36.725 -6.544  -3.808  13.750 -2.490  H241 PC1 75  
PC1 H242 2H24 H 0  0 N N N -28.166 36.400 -6.939  -5.020  13.726 -1.214  H242 PC1 76  
PC1 H251 1H25 H 0  0 N N N -28.530 37.598 -9.059  -4.231  16.203 -2.816  H251 PC1 77  
PC1 H252 2H25 H 0  0 N N N -30.142 38.120 -8.415  -5.480  16.137 -1.578  H252 PC1 78  
PC1 H261 1H26 H 0  0 N N N -28.576 38.733 -6.340  -3.796  15.507 0.140   H261 PC1 79  
PC1 H262 2H26 H 0  0 N N N -27.418 38.963 -7.733  -2.527  15.506 -1.088  H262 PC1 80  
PC1 H271 1H27 H 0  0 N N N -28.576 40.812 -8.575  -4.222  17.924 -0.289  H271 PC1 81  
PC1 H272 2H27 H 0  0 N N N -30.181 40.198 -8.003  -2.998  17.943 -1.545  H272 PC1 82  
PC1 H281 1H28 H 0  0 N N N -29.990 41.178 -5.933  -2.558  17.369 1.428   H281 PC1 83  
PC1 H282 2H28 H 0  0 N N N -28.140 41.015 -5.952  -1.286  17.297 0.221   H282 PC1 84  
PC1 H291 1H29 H 0  0 N N N -29.148 43.641 -7.500  -2.845  19.816 0.988   H291 PC1 85  
PC1 H292 2H29 H 0  0 N N N -29.109 43.871 -6.482  -1.639  19.717 -0.282  H292 PC1 86  
PC1 H2A1 1H2A H 0  0 N N N ?       ?      ?       -1.107  19.138 2.676   H2A1 PC1 87  
PC1 H2A2 2H2A H 0  0 N N N ?       ?      ?       0.098   19.047 1.388   H2A2 PC1 88  
PC1 H2B1 1H2B H 0  0 N N N ?       ?      ?       -0.275  21.468 0.875   H2B1 PC1 89  
PC1 H2B2 2H2B H 0  0 N N N ?       ?      ?       -1.472  21.567 2.161   H2B2 PC1 90  
PC1 H2C1 1H2C H 0  0 N N N ?       ?      ?       1.491   20.899 2.483   H2C1 PC1 91  
PC1 H2C2 2H2C H 0  0 N N N ?       ?      ?       0.335   20.924 3.812   H2C2 PC1 92  
PC1 H2D1 1H2D H 0  0 N N N ?       ?      ?       1.096   23.307 2.038   H2D1 PC1 93  
PC1 H2D2 2H2D H 0  0 N N N ?       ?      ?       -0.101  23.382 3.327   H2D2 PC1 94  
PC1 H2E1 1H2E H 0  0 N N N ?       ?      ?       1.707   22.738 4.976   H2E1 PC1 95  
PC1 H2E2 2H2E H 0  0 N N N ?       ?      ?       2.862   22.738 3.647   H2E2 PC1 96  
PC1 H2F1 1H2F H 0  0 N N N ?       ?      ?       2.368   25.160 3.220   H2F1 PC1 97  
PC1 H2F2 2H2F H 0  0 N N N ?       ?      ?       1.264   25.175 4.599   H2F2 PC1 98  
PC1 H2G1 1H2G H 0  0 N N N ?       ?      ?       3.125   24.494 6.114   H2G1 PC1 99  
PC1 H2G2 2H2G H 0  0 N N N ?       ?      ?       4.246   24.492 4.757   H2G2 PC1 100 
PC1 H2H1 1H2H H 0  0 N N N ?       ?      ?       2.701   26.897 5.834   H2H1 PC1 101 
PC1 H2H2 2H2H H 0  0 N N N ?       ?      ?       3.765   26.964 4.433   H2H2 PC1 102 
PC1 H2I1 1H2I H 0  0 N N N ?       ?      ?       4.855   27.792 6.524   H2I1 PC1 103 
PC1 H2I2 2H2I H 0  0 N N N ?       ?      ?       5.723   26.403 5.862   H2I2 PC1 104 
PC1 H2I3 3H2I H 0  0 N N N ?       ?      ?       4.656   26.196 7.267   H2I3 PC1 105 
PC1 H31  1H3  H 0  1 N N N -30.765 32.345 -12.637 -7.476  8.407  -5.599  H31  PC1 106 
PC1 H32  2H3  H 0  1 N N N -31.483 31.844 -11.041 -9.225  8.464  -5.966  H32  PC1 107 
PC1 H321 1H32 H 0  0 N N N -33.955 35.758 -12.328 -10.080 7.297  -2.088  H321 PC1 108 
PC1 H322 2H32 H 0  0 N N N -33.312 35.707 -10.676 -8.334  7.272  -1.718  H322 PC1 109 
PC1 H331 1H33 H 0  0 N N N -31.021 35.867 -12.095 -10.003 4.877  -2.637  H331 PC1 110 
PC1 H332 2H33 H 0  0 N N N -32.239 36.822 -13.141 -8.272  4.832  -2.316  H332 PC1 111 
PC1 H341 1H34 H 0  0 N N N -32.627 38.321 -11.319 -10.435 5.535  -0.256  H341 PC1 112 
PC1 H342 2H34 H 0  0 N N N -31.481 37.443 -10.286 -8.702  5.556  0.055   H342 PC1 113 
PC1 H351 1H35 H 0  0 N N N -29.627 38.210 -11.447 -10.296 3.075  -0.740  H351 PC1 114 
PC1 H352 2H35 H 0  0 N N N -30.531 38.161 -13.050 -8.556  3.138  -0.482  H352 PC1 115 
PC1 H361 1H36 H 0  0 N N N -31.321 40.371 -12.807 -8.894  3.798  1.891   H361 PC1 116 
PC1 H362 2H36 H 0  0 N N N -31.191 40.394 -11.076 -10.644 3.802  1.653   H362 PC1 117 
PC1 H371 1H37 H 0  0 N N N -28.831 40.594 -11.100 -8.813  1.373  1.322   H371 PC1 118 
PC1 H372 2H37 H 0  0 N N N -28.739 39.725 -12.743 -10.543 1.357  1.035   H372 PC1 119 
PC1 H381 1H38 H 0  0 N N N -28.271 41.671 -13.646 -9.136  1.957  3.684   H381 PC1 120 
PC1 H382 2H38 H 0  0 N N N -29.955 42.170 -13.259 -10.876 2.033  3.463   H382 PC1 121 
PC1 H391 1H39 H 0  0 N N N -29.254 43.028 -11.098 -9.175  -0.495 3.189   H391 PC1 122 
PC1 H392 2H39 H 0  0 N N N -27.537 42.436 -11.443 -10.898 -0.394 2.878   H392 PC1 123 
PC1 H3A1 1H3A H 0  0 N N N -28.257 44.062 -13.513 -9.574  0.212  5.570   H3A1 PC1 124 
PC1 H3A2 2H3A H 0  0 N N N -28.771 44.875 -11.927 -11.308 0.305  5.244   H3A2 PC1 125 
PC1 H3B1 1H3B H 0  0 N N N -26.298 45.100 -13.080 -11.319 -2.123 4.638   H3B1 PC1 126 
PC1 H3B2 2H3B H 0  0 N N N -26.655 45.373 -11.390 -9.593  -2.224 4.967   H3B2 PC1 127 
PC1 H3C1 1H3C H 0  0 N N N ?       ?      ?       -11.788 -1.525 6.973   H3C1 PC1 128 
PC1 H3C2 2H3C H 0  0 N N N ?       ?      ?       -10.070 -1.551 7.360   H3C2 PC1 129 
PC1 H3D1 1H3D H 0  0 N N N ?       ?      ?       -11.743 -3.940 6.408   H3D1 PC1 130 
PC1 H3D2 2H3D H 0  0 N N N ?       ?      ?       -10.015 -4.017 6.740   H3D2 PC1 131 
PC1 H3E1 1H3E H 0  0 N N N ?       ?      ?       -10.494 -3.343 9.131   H3E1 PC1 132 
PC1 H3E2 2H3E H 0  0 N N N ?       ?      ?       -12.211 -3.341 8.743   H3E2 PC1 133 
PC1 H3F1 1H3F H 0  0 N N N ?       ?      ?       -12.075 -5.771 8.136   H3F1 PC1 134 
PC1 H3F2 2H3F H 0  0 N N N ?       ?      ?       -10.369 -5.787 8.594   H3F2 PC1 135 
PC1 H3G1 1H3G H 0  0 N N N ?       ?      ?       -10.969 -5.076 10.909  H3G1 PC1 136 
PC1 H3G2 2H3G H 0  0 N N N ?       ?      ?       -12.676 -5.073 10.478  H3G2 PC1 137 
PC1 H3H1 1H3H H 0  0 N N N ?       ?      ?       -10.802 -7.486 10.461  H3H1 PC1 138 
PC1 H3H2 2H3H H 0  0 N N N ?       ?      ?       -12.489 -7.552 9.961   H3H2 PC1 139 
PC1 H3I1 1H3I H 0  0 N N N ?       ?      ?       -12.133 -8.354 12.302  H3I1 PC1 140 
PC1 H3I2 2H3I H 0  0 N N N ?       ?      ?       -13.219 -6.961 12.266  H3I2 PC1 141 
PC1 H3I3 3H3I H 0  0 N N N ?       ?      ?       -11.527 -6.755 12.764  H3I3 PC1 142 
# 
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 
PC1 O12 P    SING N N 1   
PC1 P   O14  DOUB N N 2   
PC1 P   O13  SING N N 3   
PC1 P   O11  SING N N 4   
PC1 O13 C11  SING N N 5   
PC1 C11 C12  SING N N 6   
PC1 C11 H111 SING N N 7   
PC1 C11 H112 SING N N 8   
PC1 C12 N    SING N N 9   
PC1 C12 H121 SING N N 10  
PC1 C12 H122 SING N N 11  
PC1 N   C13  SING N N 12  
PC1 N   C14  SING N N 13  
PC1 N   C15  SING N N 14  
PC1 C13 H131 SING N N 15  
PC1 C13 H132 SING N N 16  
PC1 C13 H133 SING N N 17  
PC1 C14 H141 SING N N 18  
PC1 C14 H142 SING N N 19  
PC1 C14 H143 SING N N 20  
PC1 C15 H151 SING N N 21  
PC1 C15 H152 SING N N 22  
PC1 C15 H153 SING N N 23  
PC1 O11 C1   SING N N 24  
PC1 C1  C2   SING N N 25  
PC1 C1  H11  SING N N 26  
PC1 C1  H12  SING N N 27  
PC1 C2  O21  SING N N 28  
PC1 C2  C3   SING N N 29  
PC1 C2  H2   SING N N 30  
PC1 O21 C21  SING N N 31  
PC1 C21 O22  DOUB N N 32  
PC1 C21 C22  SING N N 33  
PC1 C22 C23  SING N N 34  
PC1 C22 H221 SING N N 35  
PC1 C22 H222 SING N N 36  
PC1 C23 C24  SING N N 37  
PC1 C23 H231 SING N N 38  
PC1 C23 H232 SING N N 39  
PC1 C24 C25  SING N N 40  
PC1 C24 H241 SING N N 41  
PC1 C24 H242 SING N N 42  
PC1 C25 C26  SING N N 43  
PC1 C25 H251 SING N N 44  
PC1 C25 H252 SING N N 45  
PC1 C26 C27  SING N N 46  
PC1 C26 H261 SING N N 47  
PC1 C26 H262 SING N N 48  
PC1 C27 C28  SING N N 49  
PC1 C27 H271 SING N N 50  
PC1 C27 H272 SING N N 51  
PC1 C28 C29  SING N N 52  
PC1 C28 H281 SING N N 53  
PC1 C28 H282 SING N N 54  
PC1 C29 C2A  SING N N 55  
PC1 C29 H291 SING N N 56  
PC1 C29 H292 SING N N 57  
PC1 C2A C2B  SING N N 58  
PC1 C2A H2A1 SING N N 59  
PC1 C2A H2A2 SING N N 60  
PC1 C2B C2C  SING N N 61  
PC1 C2B H2B1 SING N N 62  
PC1 C2B H2B2 SING N N 63  
PC1 C2C C2D  SING N N 64  
PC1 C2C H2C1 SING N N 65  
PC1 C2C H2C2 SING N N 66  
PC1 C2D C2E  SING N N 67  
PC1 C2D H2D1 SING N N 68  
PC1 C2D H2D2 SING N N 69  
PC1 C2E C2F  SING N N 70  
PC1 C2E H2E1 SING N N 71  
PC1 C2E H2E2 SING N N 72  
PC1 C2F C2G  SING N N 73  
PC1 C2F H2F1 SING N N 74  
PC1 C2F H2F2 SING N N 75  
PC1 C2G C2H  SING N N 76  
PC1 C2G H2G1 SING N N 77  
PC1 C2G H2G2 SING N N 78  
PC1 C2H C2I  SING N N 79  
PC1 C2H H2H1 SING N N 80  
PC1 C2H H2H2 SING N N 81  
PC1 C2I H2I1 SING N N 82  
PC1 C2I H2I2 SING N N 83  
PC1 C2I H2I3 SING N N 84  
PC1 C3  O31  SING N N 85  
PC1 C3  H31  SING N N 86  
PC1 C3  H32  SING N N 87  
PC1 O31 C31  SING N N 88  
PC1 C31 O32  DOUB N N 89  
PC1 C31 C32  SING N N 90  
PC1 C32 C33  SING N N 91  
PC1 C32 H321 SING N N 92  
PC1 C32 H322 SING N N 93  
PC1 C33 C34  SING N N 94  
PC1 C33 H331 SING N N 95  
PC1 C33 H332 SING N N 96  
PC1 C34 C35  SING N N 97  
PC1 C34 H341 SING N N 98  
PC1 C34 H342 SING N N 99  
PC1 C35 C36  SING N N 100 
PC1 C35 H351 SING N N 101 
PC1 C35 H352 SING N N 102 
PC1 C36 C37  SING N N 103 
PC1 C36 H361 SING N N 104 
PC1 C36 H362 SING N N 105 
PC1 C37 C38  SING N N 106 
PC1 C37 H371 SING N N 107 
PC1 C37 H372 SING N N 108 
PC1 C38 C39  SING N N 109 
PC1 C38 H381 SING N N 110 
PC1 C38 H382 SING N N 111 
PC1 C39 C3A  SING N N 112 
PC1 C39 H391 SING N N 113 
PC1 C39 H392 SING N N 114 
PC1 C3A C3B  SING N N 115 
PC1 C3A H3A1 SING N N 116 
PC1 C3A H3A2 SING N N 117 
PC1 C3B C3C  SING N N 118 
PC1 C3B H3B1 SING N N 119 
PC1 C3B H3B2 SING N N 120 
PC1 C3C C3D  SING N N 121 
PC1 C3C H3C1 SING N N 122 
PC1 C3C H3C2 SING N N 123 
PC1 C3D C3E  SING N N 124 
PC1 C3D H3D1 SING N N 125 
PC1 C3D H3D2 SING N N 126 
PC1 C3E C3F  SING N N 127 
PC1 C3E H3E1 SING N N 128 
PC1 C3E H3E2 SING N N 129 
PC1 C3F C3G  SING N N 130 
PC1 C3F H3F1 SING N N 131 
PC1 C3F H3F2 SING N N 132 
PC1 C3G C3H  SING N N 133 
PC1 C3G H3G1 SING N N 134 
PC1 C3G H3G2 SING N N 135 
PC1 C3H C3I  SING N N 136 
PC1 C3H H3H1 SING N N 137 
PC1 C3H H3H2 SING N N 138 
PC1 C3I H3I1 SING N N 139 
PC1 C3I H3I2 SING N N 140 
PC1 C3I H3I3 SING N N 141 
# 
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 
PC1 SMILES           ACDLabs              10.04 O=C(OC(COP([O-])(=O)OCC[N+](C)(C)C)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC                                                                                                                             
PC1 InChI            InChI                1.02b InChI=1/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/t42-/m1/s1 
PC1 InChIKey         InChI                1.02b NRJAVPSFFCBXDT-HUESYALOBJ                                                                                                                                                                                 
PC1 SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC                                                                                                                       
PC1 SMILES           CACTVS               3.341 CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC                                                                                                                        
PC1 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC                                                                                                                     
PC1 SMILES           "OpenEye OEToolkits" 1.5.0 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 
PC1 "SYSTEMATIC NAME" ACDLabs              10.04 "(2R)-2,3-bis(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate"  
PC1 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R)-2,3-di(octadecanoyloxy)propyl] 2-trimethylazaniumylethyl phosphate" 
# 
