data_MC3
# 
_chem_comp.id                                    MC3 
_chem_comp.name                                  1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C36 H72 N O8 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_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                        677.933 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     MC3 
_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        2B6O 
_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 
MC3 C1   C1   C 0  1 N N N 51.683 30.601 6.298  -0.899  -3.350 1.646  C1   MC3 1   
MC3 C2   C2   C 0  1 N N R 51.990 32.028 6.831  -1.221  -2.277 2.687  C2   MC3 2   
MC3 C3   C3   C 0  1 N N N 51.650 32.188 8.346  0.081   -1.739 3.285  C3   MC3 3   
MC3 C4   C4   C 0  1 N N N 50.242 29.543 2.616  1.319   -4.469 -2.552 C4   MC3 4   
MC3 C5   C5   C 0  1 N N N 51.041 30.235 1.486  2.169   -3.986 -3.729 C5   MC3 5   
MC3 C6   C6   C 0  1 N N N 53.044 28.828 1.750  4.061   -4.962 -2.623 C6   MC3 6   
MC3 C7   C7   C 0  1 N N N 52.732 30.085 -0.258 4.392   -3.416 -4.427 C7   MC3 7   
MC3 C8   C8   C 0  1 N N N 51.359 28.175 0.164  3.561   -2.636 -2.316 C8   MC3 8   
MC3 C11  C11  C 0  1 N N N 50.788 30.928 10.342 2.150   -0.752 2.507  C11  MC3 9   
MC3 C12  C12  C 0  1 N N N 51.002 32.211 11.169 3.047   -0.264 1.399  C12  MC3 10  
MC3 C13  C13  C 0  1 N N N 50.159 32.326 12.451 4.349   0.274  1.996  C13  MC3 11  
MC3 C14  C14  C 0  1 N N N 50.950 31.975 13.706 5.260   0.769  0.871  C14  MC3 12  
MC3 C15  C15  C 0  1 N N N 50.076 31.428 14.808 6.562   1.306  1.468  C15  MC3 13  
MC3 C16  C16  C 0  1 N N N 50.143 32.282 16.065 7.473   1.802  0.343  C16  MC3 14  
MC3 C17  C17  C 0  1 N N N 49.254 31.696 17.162 8.775   2.339  0.940  C17  MC3 15  
MC3 C18  C18  C 0  1 N N N 49.944 31.643 18.534 9.686   2.834  -0.185 C18  MC3 16  
MC3 C19  C19  C 0  1 N N N 49.704 32.915 19.350 10.988  3.372  0.412  C19  MC3 17  
MC3 C20  C20  C 0  1 N N N 50.658 33.021 20.527 11.899  3.867  -0.713 C20  MC3 18  
MC3 C21  C21  C 0  1 N N N 50.248 34.147 21.460 13.201  4.405  -0.116 C21  MC3 19  
MC3 C22  C22  C 0  1 N N N 51.279 34.369 22.541 14.112  4.900  -1.241 C22  MC3 20  
MC3 C23  C23  C 0  1 N N N 50.694 34.174 23.925 15.414  5.437  -0.644 C23  MC3 21  
MC3 C24  C24  C 0  1 N N N 51.746 34.401 24.998 16.325  5.933  -1.769 C24  MC3 22  
MC3 C31  C31  C 0  1 N N N 54.671 31.585 7.076  -3.288  -1.222 2.001  C31  MC3 23  
MC3 C32  C32  C 0  1 N N N 54.560 30.371 8.023  -4.043  -0.095 1.344  C32  MC3 24  
MC3 C33  C33  C 0  1 N N N 54.624 30.702 9.529  -5.545  -0.375 1.419  C33  MC3 25  
MC3 C34  C34  C 0  1 N N N 55.924 31.390 9.971  -6.311  0.769  0.752  C34  MC3 26  
MC3 C35  C35  C 0  1 N N N 56.134 31.345 11.494 -7.813  0.489  0.826  C35  MC3 27  
MC3 C36  C36  C 0  1 N N N 55.152 32.228 12.285 -8.579  1.634  0.159  C36  MC3 28  
MC3 C37  C37  C 0  1 N N N 55.290 31.987 13.785 -10.081 1.353  0.234  C37  MC3 29  
MC3 C38  C38  C 0  1 N N N 54.325 32.831 14.600 -10.847 2.498  -0.433 C38  MC3 30  
MC3 C39  C39  C 0  1 N N N 54.804 33.001 16.036 -12.350 2.218  -0.358 C39  MC3 31  
MC3 C40  C40  C 0  1 N N N 54.552 31.766 16.907 -13.115 3.362  -1.025 C40  MC3 32  
MC3 C41  C41  C 0  1 N N N 53.662 32.077 18.108 -14.618 3.082  -0.951 C41  MC3 33  
MC3 C42  C42  C 0  1 N N N 53.744 31.000 19.194 -15.384 4.226  -1.618 C42  MC3 34  
MC3 C43  C43  C 0  1 N N N 54.909 31.245 20.160 -16.886 3.946  -1.543 C43  MC3 35  
MC3 C44  C44  C 0  1 N N N 54.424 31.591 21.571 -17.652 5.090  -2.210 C44  MC3 36  
MC3 N    N    N 1  1 N N N 52.040 29.328 0.792  3.546   -3.750 -3.274 N    MC3 37  
MC3 O2   O2   O 0  1 N N N 53.441 32.325 6.544  -1.947  -1.191 2.054  O2   MC3 38  
MC3 O3   O3   O 0  1 N N N 51.132 30.944 8.901  0.946   -1.269 2.217  O3   MC3 39  
MC3 O11  O11  O 0  1 N N N 50.344 29.890 10.865 2.515   -0.677 3.656  O11  MC3 40  
MC3 O31  O31  O 0  1 N N N 55.806 31.966 6.731  -3.890  -2.154 2.480  O31  MC3 41  
MC3 O1P  O1P  O 0  1 N N N 48.971 29.776 5.599  1.044   -5.141 0.316  O1P  MC3 42  
MC3 O2P  O2P  O -1 1 N N N 49.245 32.188 5.069  -1.046  -4.521 -0.954 O2P  MC3 43  
MC3 O3P  O3P  O 0  1 N N N 51.245 30.646 4.894  -0.003  -2.814 0.670  O3P  MC3 44  
MC3 O4P  O4P  O 0  1 N N N 49.321 30.496 3.229  1.192   -3.417 -1.593 O4P  MC3 45  
MC3 P    P    P 0  1 N N N 49.698 30.773 4.704  0.291   -3.991 -0.389 P    MC3 46  
MC3 H11  1H1  H 0  1 N N N 52.550 29.914 6.436  -0.432  -4.204 2.136  H11  MC3 47  
MC3 H12  2H1  H 0  1 N N N 50.943 30.071 6.942  -1.819  -3.670 1.157  H12  MC3 48  
MC3 H2   H2   H 0  1 N N N 51.337 32.766 6.309  -1.832  -2.710 3.479  H2   MC3 49  
MC3 H31  1H3  H 0  1 N N N 52.525 32.563 8.925  0.584   -2.534 3.836  H31  MC3 50  
MC3 H32  2H3  H 0  1 N N N 50.951 33.038 8.522  -0.142  -0.914 3.961  H32  MC3 51  
MC3 H41  1H4  H 0  1 N N N 49.718 28.626 2.257  1.798   -5.329 -2.086 H41  MC3 52  
MC3 H42  2H4  H 0  1 N N N 50.910 29.063 3.368  0.330   -4.754 -2.911 H42  MC3 53  
MC3 H51  1H5  H 0  1 N N N 50.349 30.696 0.743  2.170   -4.745 -4.511 H51  MC3 54  
MC3 H52  2H5  H 0  1 N N N 51.545 31.152 1.868  1.753   -3.059 -4.122 H52  MC3 55  
MC3 H61  1H6  H 0  1 N N N 53.778 28.161 1.240  4.050   -5.789 -3.333 H61  MC3 56  
MC3 H62  2H6  H 0  1 N N N 53.549 29.661 2.291  5.083   -4.787 -2.285 H62  MC3 57  
MC3 H63  3H6  H 0  1 N N N 52.567 28.325 2.623  3.433   -5.210 -1.767 H63  MC3 58  
MC3 H71  1H7  H 0  1 N N N 53.466 29.418 -0.768 4.010   -2.517 -4.910 H71  MC3 59  
MC3 H72  2H7  H 0  1 N N N 52.022 30.559 -0.975 5.414   -3.241 -4.089 H72  MC3 60  
MC3 H73  3H7  H 0  1 N N N 53.206 31.015 0.133  4.381   -4.243 -5.137 H73  MC3 61  
MC3 H81  1H8  H 0  1 N N N 52.093 27.508 -0.346 3.099   -2.954 -1.381 H81  MC3 62  
MC3 H82  2H8  H 0  1 N N N 50.735 27.614 0.899  4.591   -2.333 -2.128 H82  MC3 63  
MC3 H83  3H8  H 0  1 N N N 50.549 28.502 -0.529 3.005   -1.795 -2.729 H83  MC3 64  
MC3 H121 1H12 H 0  0 N N N 52.083 32.330 11.412 2.545   0.531  0.848  H121 MC3 65  
MC3 H122 2H12 H 0  0 N N N 50.842 33.108 10.527 3.271   -1.089 0.723  H122 MC3 66  
MC3 H131 1H13 H 0  0 N N N 49.698 33.337 12.537 4.852   -0.521 2.547  H131 MC3 67  
MC3 H132 2H13 H 0  0 N N N 49.231 31.711 12.377 4.125   1.099  2.672  H132 MC3 68  
MC3 H141 1H14 H 0  0 N N N 51.784 31.273 13.470 4.758   1.564  0.320  H141 MC3 69  
MC3 H142 2H14 H 0  0 N N N 51.544 32.848 14.062 5.484   -0.056 0.195  H142 MC3 70  
MC3 H151 1H15 H 0  0 N N N 49.023 31.297 14.463 7.065   0.511  2.019  H151 MC3 71  
MC3 H152 2H15 H 0  0 N N N 50.321 30.363 15.028 6.338   2.132  2.144  H152 MC3 72  
MC3 H161 1H16 H 0  0 N N N 51.192 32.422 16.414 6.971   2.597  -0.208 H161 MC3 73  
MC3 H162 2H16 H 0  0 N N N 49.892 33.348 15.854 7.697   0.976  -0.333 H162 MC3 74  
MC3 H171 1H17 H 0  0 N N N 48.286 32.246 17.225 9.278   1.544  1.491  H171 MC3 75  
MC3 H172 2H17 H 0  0 N N N 48.873 30.689 16.869 8.551   3.164  1.616  H172 MC3 76  
MC3 H181 1H18 H 0  0 N N N 49.639 30.734 19.104 9.184   3.629  -0.736 H181 MC3 77  
MC3 H182 2H18 H 0  0 N N N 51.033 31.429 18.429 9.910   2.009  -0.861 H182 MC3 78  
MC3 H191 1H19 H 0  0 N N N 49.751 33.824 18.706 11.491  2.577  0.963  H191 MC3 79  
MC3 H192 2H19 H 0  0 N N N 48.641 32.989 19.681 10.764  4.197  1.088  H192 MC3 80  
MC3 H201 1H20 H 0  0 N N N 50.751 32.051 21.069 11.397  4.662  -1.264 H201 MC3 81  
MC3 H202 2H20 H 0  0 N N N 51.715 33.129 20.190 12.123  3.042  -1.389 H202 MC3 82  
MC3 H211 1H21 H 0  0 N N N 50.035 35.086 20.898 13.704  3.610  0.435  H211 MC3 83  
MC3 H212 2H21 H 0  0 N N N 49.234 33.972 21.891 12.977  5.230  0.560  H212 MC3 84  
MC3 H221 1H22 H 0  0 N N N 52.175 33.725 22.385 13.610  5.695  -1.792 H221 MC3 85  
MC3 H222 2H22 H 0  0 N N N 51.762 35.368 22.441 14.336  4.075  -1.917 H222 MC3 86  
MC3 H231 1H23 H 0  0 N N N 49.796 34.816 24.086 15.916  4.642  -0.093 H231 MC3 87  
MC3 H232 2H23 H 0  0 N N N 50.208 33.175 24.029 15.190  6.263  0.032  H232 MC3 88  
MC3 H241 1H24 H 0  0 N N N 51.315 34.257 26.016 17.253  6.316  -1.343 H241 MC3 89  
MC3 H242 2H24 H 0  0 N N N 52.643 33.759 24.836 16.549  5.107  -2.445 H242 MC3 90  
MC3 H243 3H24 H 0  0 N N N 52.231 35.399 24.893 15.822  6.728  -2.320 H243 MC3 91  
MC3 H321 1H32 H 0  0 N N N 53.634 29.792 7.797  -3.821  0.840  1.860  H321 MC3 92  
MC3 H322 2H32 H 0  0 N N N 55.334 29.611 7.764  -3.739  -0.014 0.300  H322 MC3 93  
MC3 H331 1H33 H 0  0 N N N 53.739 31.309 9.831  -5.766  -1.309 0.903  H331 MC3 94  
MC3 H332 2H33 H 0  0 N N N 54.442 29.785 10.137 -5.848  -0.455 2.463  H332 MC3 95  
MC3 H341 1H34 H 0  0 N N N 56.803 30.964 9.433  -6.090  1.704  1.268  H341 MC3 96  
MC3 H342 2H34 H 0  0 N N N 55.970 32.437 9.592  -6.008  0.850  -0.292 H342 MC3 97  
MC3 H351 1H35 H 0  0 N N N 56.101 30.293 11.863 -8.034  -0.445 0.311  H351 MC3 98  
MC3 H352 2H35 H 0  0 N N N 57.187 31.601 11.752 -8.116  0.409  1.870  H352 MC3 99  
MC3 H361 1H36 H 0  0 N N N 55.269 33.306 12.028 -8.358  2.568  0.675  H361 MC3 100 
MC3 H362 2H36 H 0  0 N N N 54.101 32.086 11.940 -8.276  1.714  -0.884 H362 MC3 101 
MC3 H371 1H37 H 0  0 N N N 55.181 30.904 14.029 -10.303 0.419  -0.282 H371 MC3 102 
MC3 H372 2H37 H 0  0 N N N 56.341 32.141 14.121 -10.385 1.273  1.278  H372 MC3 103 
MC3 H381 1H38 H 0  0 N N N 54.135 33.816 14.114 -10.626 3.432  0.083  H381 MC3 104 
MC3 H382 2H38 H 0  0 N N N 53.290 32.417 14.562 -10.544 2.578  -1.477 H382 MC3 105 
MC3 H391 1H39 H 0  0 N N N 55.879 33.292 16.063 -12.571 1.283  -0.874 H391 MC3 106 
MC3 H392 2H39 H 0  0 N N N 54.355 33.910 16.498 -12.653 2.137  0.685  H392 MC3 107 
MC3 H401 1H40 H 0  0 N N N 54.135 30.925 16.303 -12.894 4.296  -0.510 H401 MC3 108 
MC3 H402 2H40 H 0  0 N N N 55.511 31.296 17.227 -12.812 3.442  -2.069 H402 MC3 109 
MC3 H411 1H41 H 0  0 N N N 53.889 33.085 18.525 -14.839 2.147  -1.467 H411 MC3 110 
MC3 H412 2H41 H 0  0 N N N 52.606 32.247 17.791 -14.921 3.001  0.093  H412 MC3 111 
MC3 H421 1H42 H 0  0 N N N 52.777 30.903 19.741 -15.162 5.161  -1.102 H421 MC3 112 
MC3 H422 2H42 H 0  0 N N N 53.796 29.979 18.748 -15.080 4.307  -2.662 H422 MC3 113 
MC3 H431 1H43 H 0  0 N N N 55.610 30.378 20.175 -17.107 3.012  -2.059 H431 MC3 114 
MC3 H432 2H43 H 0  0 N N N 55.601 32.025 19.768 -17.189 3.865  -0.499 H432 MC3 115 
MC3 H441 1H44 H 0  0 N N N 55.271 31.769 22.273 -18.722 4.891  -2.157 H441 MC3 116 
MC3 H442 2H44 H 0  0 N N N 53.722 32.457 21.556 -17.431 6.025  -1.694 H442 MC3 117 
MC3 H443 3H44 H 0  0 N N N 53.731 30.810 21.963 -17.349 5.171  -3.254 H443 MC3 118 
# 
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 
MC3 C1  C2   SING N N 1   
MC3 C1  O3P  SING N N 2   
MC3 C1  H11  SING N N 3   
MC3 C1  H12  SING N N 4   
MC3 C2  C3   SING N N 5   
MC3 C2  O2   SING N N 6   
MC3 C2  H2   SING N N 7   
MC3 C3  O3   SING N N 8   
MC3 C3  H31  SING N N 9   
MC3 C3  H32  SING N N 10  
MC3 C4  C5   SING N N 11  
MC3 C4  O4P  SING N N 12  
MC3 C4  H41  SING N N 13  
MC3 C4  H42  SING N N 14  
MC3 C5  N    SING N N 15  
MC3 C5  H51  SING N N 16  
MC3 C5  H52  SING N N 17  
MC3 C6  N    SING N N 18  
MC3 C6  H61  SING N N 19  
MC3 C6  H62  SING N N 20  
MC3 C6  H63  SING N N 21  
MC3 C7  N    SING N N 22  
MC3 C7  H71  SING N N 23  
MC3 C7  H72  SING N N 24  
MC3 C7  H73  SING N N 25  
MC3 C8  N    SING N N 26  
MC3 C8  H81  SING N N 27  
MC3 C8  H82  SING N N 28  
MC3 C8  H83  SING N N 29  
MC3 C11 C12  SING N N 30  
MC3 C11 O3   SING N N 31  
MC3 C11 O11  DOUB N N 32  
MC3 C12 C13  SING N N 33  
MC3 C12 H121 SING N N 34  
MC3 C12 H122 SING N N 35  
MC3 C13 C14  SING N N 36  
MC3 C13 H131 SING N N 37  
MC3 C13 H132 SING N N 38  
MC3 C14 C15  SING N N 39  
MC3 C14 H141 SING N N 40  
MC3 C14 H142 SING N N 41  
MC3 C15 C16  SING N N 42  
MC3 C15 H151 SING N N 43  
MC3 C15 H152 SING N N 44  
MC3 C16 C17  SING N N 45  
MC3 C16 H161 SING N N 46  
MC3 C16 H162 SING N N 47  
MC3 C17 C18  SING N N 48  
MC3 C17 H171 SING N N 49  
MC3 C17 H172 SING N N 50  
MC3 C18 C19  SING N N 51  
MC3 C18 H181 SING N N 52  
MC3 C18 H182 SING N N 53  
MC3 C19 C20  SING N N 54  
MC3 C19 H191 SING N N 55  
MC3 C19 H192 SING N N 56  
MC3 C20 C21  SING N N 57  
MC3 C20 H201 SING N N 58  
MC3 C20 H202 SING N N 59  
MC3 C21 C22  SING N N 60  
MC3 C21 H211 SING N N 61  
MC3 C21 H212 SING N N 62  
MC3 C22 C23  SING N N 63  
MC3 C22 H221 SING N N 64  
MC3 C22 H222 SING N N 65  
MC3 C23 C24  SING N N 66  
MC3 C23 H231 SING N N 67  
MC3 C23 H232 SING N N 68  
MC3 C24 H241 SING N N 69  
MC3 C24 H242 SING N N 70  
MC3 C24 H243 SING N N 71  
MC3 C31 C32  SING N N 72  
MC3 C31 O2   SING N N 73  
MC3 C31 O31  DOUB N N 74  
MC3 C32 C33  SING N N 75  
MC3 C32 H321 SING N N 76  
MC3 C32 H322 SING N N 77  
MC3 C33 C34  SING N N 78  
MC3 C33 H331 SING N N 79  
MC3 C33 H332 SING N N 80  
MC3 C34 C35  SING N N 81  
MC3 C34 H341 SING N N 82  
MC3 C34 H342 SING N N 83  
MC3 C35 C36  SING N N 84  
MC3 C35 H351 SING N N 85  
MC3 C35 H352 SING N N 86  
MC3 C36 C37  SING N N 87  
MC3 C36 H361 SING N N 88  
MC3 C36 H362 SING N N 89  
MC3 C37 C38  SING N N 90  
MC3 C37 H371 SING N N 91  
MC3 C37 H372 SING N N 92  
MC3 C38 C39  SING N N 93  
MC3 C38 H381 SING N N 94  
MC3 C38 H382 SING N N 95  
MC3 C39 C40  SING N N 96  
MC3 C39 H391 SING N N 97  
MC3 C39 H392 SING N N 98  
MC3 C40 C41  SING N N 99  
MC3 C40 H401 SING N N 100 
MC3 C40 H402 SING N N 101 
MC3 C41 C42  SING N N 102 
MC3 C41 H411 SING N N 103 
MC3 C41 H412 SING N N 104 
MC3 C42 C43  SING N N 105 
MC3 C42 H421 SING N N 106 
MC3 C42 H422 SING N N 107 
MC3 C43 C44  SING N N 108 
MC3 C43 H431 SING N N 109 
MC3 C43 H432 SING N N 110 
MC3 C44 H441 SING N N 111 
MC3 C44 H442 SING N N 112 
MC3 C44 H443 SING N N 113 
MC3 O1P P    DOUB N N 114 
MC3 O2P P    SING N N 115 
MC3 O3P P    SING N N 116 
MC3 O4P P    SING N N 117 
# 
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 
MC3 SMILES           ACDLabs              10.04 O=C(OC(COP([O-])(=O)OCC[N+](C)(C)C)COC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC                                                                                                             
MC3 InChI            InChI                1.02b InChI=1/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/t34-/m1/s1 
MC3 InChIKey         InChI                1.02b CITHEXJVPOWHKC-UUWRZZSWBU                                                                                                                                                         
MC3 SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC                                                                                                       
MC3 SMILES           CACTVS               3.341 CCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC                                                                                                        
MC3 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC                                                                                                     
MC3 SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC                                                                                                             
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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 
MC3 "SYSTEMATIC NAME" ACDLabs              10.04 "(2R)-2,3-bis(tetradecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate"  
MC3 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R)-2,3-di(tetradecanoyloxy)propyl] 2-trimethylazaniumylethyl phosphate" 
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