data_PLC
# 
_chem_comp.id                                    PLC 
_chem_comp.name                                  "DIUNDECYL PHOSPHATIDYL CHOLINE" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C32 H65 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                     1999-07-08 
_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                        622.834 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     PLC 
_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        1EIN 
_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 
PLC C1     C1     C 0 1 N N N -1.513 85.118 6.174  -2.770 1.955  -0.961  C1     PLC 1   
PLC C2     C2     C 0 1 N N R -1.314 86.007 4.949  -1.545 2.816  -1.278  C2     PLC 2   
PLC C3     C3     C 0 1 N N N 0.167  86.041 4.551  -0.939 3.341  0.024   C3     PLC 3   
PLC C4     C4     C 0 1 N N N -0.891 80.284 7.327  -4.552 -1.986 1.302   C4     PLC 4   
PLC C5     C5     C 0 1 N N N 0.094  79.512 6.400  -4.269 -3.207 2.180   C5     PLC 5   
PLC C6     C6     C 0 1 N N N 0.696  77.194 6.099  -3.469 -2.301 4.926   C6     PLC 6   
PLC C7     C7     C 0 1 N N N -1.017 77.875 7.728  -4.544 -3.955 4.146   C7     PLC 7   
PLC C8     C8     C 0 1 N N N 1.189  78.355 8.198  -2.424 -2.826 3.156   C8     PLC 8   
PLC "C'"   "C'"   C 0 1 N N N -3.446 85.473 4.177  -0.582 1.949  -3.323  "C'"   PLC 9   
PLC "C1'"  "C1'"  C 0 1 N N N -4.302 84.722 3.146  0.440  1.117  -4.053  "C1'"  PLC 10  
PLC "C2'"  "C2'"  C 0 1 N N N -5.234 85.735 2.484  0.194  1.213  -5.560  "C2'"  PLC 11  
PLC "C3'"  "C3'"  C 0 1 N N N -5.182 85.674 0.948  1.233  0.369  -6.301  "C3'"  PLC 12  
PLC "C4'"  "C4'"  C 0 1 N N N -4.263 84.531 0.449  0.986  0.466  -7.808  "C4'"  PLC 13  
PLC "C5'"  "C5'"  C 0 1 N N N -4.301 84.449 -1.072 2.025  -0.378 -8.550  "C5'"  PLC 14  
PLC "C6'"  "C6'"  C 0 1 N N N -4.874 83.156 -1.637 1.778  -0.281 -10.057 "C6'"  PLC 15  
PLC "C7'"  "C7'"  C 0 1 N N N -3.762 82.448 -2.444 2.817  -1.126 -10.798 "C7'"  PLC 16  
PLC "C8'"  "C8'"  C 0 1 N N N -3.383 81.156 -1.691 2.571  -1.029 -12.305 "C8'"  PLC 17  
PLC "C9'"  "C9'"  C 0 1 N N N -2.308 80.307 -2.372 3.609  -1.874 -13.047 "C9'"  PLC 18  
PLC "CA'"  "'C10" C 0 1 N N N -1.741 79.276 -1.391 3.363  -1.777 -14.554 "CA'"  PLC 19  
PLC "CB'"  "'C11" C 0 1 N N N -0.385 78.722 -1.850 4.401  -2.622 -15.295 "CB'"  PLC 20  
PLC CB     'C"'   C 0 1 N N N 1.399  87.272 2.966  0.018  2.444  2.057   CB     PLC 21  
PLC C1B    'C1"'  C 0 1 N N N 2.564  86.880 3.911  0.432  1.282  2.923   C1B    PLC 22  
PLC C2B    'C2"'  C 0 1 N N N 3.554  88.051 3.840  1.038  1.807  4.226   C2B    PLC 23  
PLC C3B    'C3"'  C 0 1 N N N 5.033  87.703 3.788  1.458  0.628  5.105   C3B    PLC 24  
PLC C4B    'C4"'  C 0 1 N N N 5.714  87.650 5.152  2.064  1.153  6.408   C4B    PLC 25  
PLC C5B    'C5"'  C 0 1 N N N 6.174  86.247 5.521  2.484  -0.026 7.288   C5B    PLC 26  
PLC C6B    'C6"'  C 0 1 N N N 6.396  85.926 6.995  3.090  0.498  8.590   C6B    PLC 27  
PLC C7B    'C7"'  C 0 1 N N N 6.270  84.413 7.233  3.510  -0.680 9.470   C7B    PLC 28  
PLC C8B    'C8"'  C 0 1 N N N 4.841  83.841 7.274  4.116  -0.155 10.773  C8B    PLC 29  
PLC C9B    'C9"'  C 0 1 N N N 4.474  83.387 8.691  4.536  -1.335 11.652  C9B    PLC 30  
PLC CAA    '"C10' C 0 1 N N N 3.013  82.983 8.904  5.142  -0.810 12.955  CAA    PLC 31  
PLC CBA    '"C11' C 0 1 N N N 2.615  82.992 10.401 5.562  -1.989 13.834  CBA    PLC 32  
PLC "O'"   "O'"   O 0 1 N N N -3.907 85.775 5.248  -1.421 2.556  -3.944  "O'"   PLC 33  
PLC OB     'O"'   O 0 1 N N N 1.580  88.284 2.291  0.191  3.576  2.443   OB     PLC 34  
PLC O2     O2     O 0 1 N N N -2.158 85.621 3.856  -0.560 2.015  -1.982  O2     PLC 35  
PLC O3     O3     O 0 1 N N N 0.241  86.733 3.309  -0.541 2.221  0.858   O3     PLC 36  
PLC O1P    O1P    O 0 1 N N N -2.534 83.382 7.773  -4.280 -0.480 -1.125  O1P    PLC 37  
PLC O2P    O2P    O 0 1 N N N -0.014 82.734 8.178  -4.785 0.919  0.913   O2P    PLC 38  
PLC O3P    O3P    O 0 1 N N N -0.858 83.853 5.958  -2.377 0.853  -0.140  O3P    PLC 39  
PLC O4P    O4P    O 0 1 N N N -1.321 81.407 6.591  -3.337 -1.268 1.078   O4P    PLC 40  
PLC N      N      N 1 1 N N N 0.261  78.192 7.070  -3.869 -2.754 3.553   N      PLC 41  
PLC P      P      P 0 1 N N R -1.254 82.862 7.144  -3.708 -0.004 0.153   P      PLC 42  
PLC H11    1H1    H 0 1 N N N -1.175 85.613 7.114  -3.509 2.557  -0.433  H11    PLC 43  
PLC H12    2H1    H 0 1 N N N -2.589 84.996 6.436  -3.201 1.581  -1.889  H12    PLC 44  
PLC H2     H2     H 0 1 N N N -1.622 87.043 5.223  -1.844 3.656  -1.905  H2     PLC 45  
PLC H31    1H3    H 0 1 N N N 0.824  86.478 5.338  -1.679 3.943  0.552   H31    PLC 46  
PLC H32    2H3    H 0 1 N N N 0.637  85.030 4.520  -0.067 3.954  -0.202  H32    PLC 47  
PLC H41    1H4    H 0 1 N N N -1.729 79.654 7.707  -5.270 -1.337 1.803   H41    PLC 48  
PLC H42    2H4    H 0 1 N N N -0.455 80.543 8.319  -4.962 -2.313 0.347   H42    PLC 49  
PLC H51    1H5    H 0 1 N N N -0.233 79.447 5.336  -5.166 -3.822 2.247   H51    PLC 50  
PLC H52    2H5    H 0 1 N N N 1.050  80.048 6.199  -3.460 -3.791 1.740   H52    PLC 51  
PLC H61    1H6    H 0 1 N N N 0.821  76.206 6.600  -2.910 -1.368 4.852   H61    PLC 52  
PLC H62    2H6    H 0 1 N N N 0.008  77.134 5.223  -4.362 -2.142 5.530   H62    PLC 53  
PLC H63    3H6    H 0 1 N N N 1.619  77.509 5.559  -2.845 -3.063 5.393   H63    PLC 54  
PLC H71    1H7    H 0 1 N N N -0.892 76.887 8.229  -4.033 -4.243 5.065   H71    PLC 55  
PLC H72    2H7    H 0 1 N N N -1.362 78.676 8.421  -4.507 -4.780 3.435   H72    PLC 56  
PLC H73    3H7    H 0 1 N N N -1.886 77.904 7.030  -5.584 -3.714 4.369   H73    PLC 57  
PLC H81    1H8    H 0 1 N N N 1.314  77.367 8.699  -1.856 -2.082 3.715   H81    PLC 58  
PLC H82    2H8    H 0 1 N N N 2.161  78.804 7.890  -2.036 -3.820 3.376   H82    PLC 59  
PLC H83    3H8    H 0 1 N N N 0.867  79.155 8.904  -2.331 -2.626 2.088   H83    PLC 60  
PLC "H1'1" "1H1'" H 0 0 N N N -3.689 84.151 2.408  1.440  1.487  -3.824  "H1'1" PLC 61  
PLC "H1'2" "2H1'" H 0 0 N N N -4.848 83.855 3.586  0.356  0.077  -3.737  "H1'2" PLC 62  
PLC "H2'1" "1H2'" H 0 0 N N N -6.279 85.618 2.853  -0.804 0.844  -5.789  "H2'1" PLC 63  
PLC "H2'2" "2H2'" H 0 0 N N N -5.027 86.767 2.850  0.278  2.253  -5.876  "H2'2" PLC 64  
PLC "H3'1" "1H3'" H 0 0 N N N -6.204 85.593 0.509  2.232  0.739  -6.072  "H3'1" PLC 65  
PLC "H3'2" "2H3'" H 0 0 N N N -4.882 86.655 0.512  1.148  -0.670 -5.985  "H3'2" PLC 66  
PLC "H4'1" "1H4'" H 0 0 N N N -3.221 84.635 0.834  -0.012 0.096  -8.038  "H4'1" PLC 67  
PLC "H4'2" "2H4'" H 0 0 N N N -4.517 83.555 0.924  1.071  1.505  -8.124  "H4'2" PLC 68  
PLC "H5'1" "1H5'" H 0 0 N N N -4.848 85.326 -1.490 3.024  -0.008 -8.321  "H5'1" PLC 69  
PLC "H5'2" "2H5'" H 0 0 N N N -3.284 84.634 -1.491 1.940  -1.418 -8.234  "H5'2" PLC 70  
PLC "H6'1" "1H6'" H 0 0 N N N -5.317 82.502 -0.850 0.779  -0.651 -10.286 "H6'1" PLC 71  
PLC "H6'2" "2H6'" H 0 0 N N N -5.800 83.321 -2.234 1.863  0.757  -10.373 "H6'2" PLC 72  
PLC "H7'1" "1H7'" H 0 0 N N N -4.049 82.262 -3.505 2.733  -2.166 -10.482 "H7'1" PLC 73  
PLC "H7'2" "2H7'" H 0 0 N N N -2.884 83.106 -2.641 3.816  -0.756 -10.569 "H7'2" PLC 74  
PLC "H8'1" "1H8'" H 0 0 N N N -3.081 81.393 -0.644 1.571  -1.399 -12.534 "H8'1" PLC 75  
PLC "H8'2" "2H8'" H 0 0 N N N -4.293 80.542 -1.495 2.655  0.009  -12.621 "H8'2" PLC 76  
PLC "H9'1" "1H9'" H 0 0 N N N -2.686 79.828 -3.305 4.609  -1.504 -12.817 "H9'1" PLC 77  
PLC "H9'2" "2H9'" H 0 0 N N N -1.505 80.936 -2.822 3.525  -2.913 -12.731 "H9'2" PLC 78  
PLC "HT'1" "1HT'" H 0 0 N N N -1.677 79.693 -0.359 2.363  -2.147 -14.783 "HT'1" PLC 79  
PLC "HT'2" "2HT'" H 0 0 N N N -2.470 78.453 -1.204 3.447  -0.738 -14.870 "HT'2" PLC 80  
PLC "HE'1" "1HE'" H 0 0 N N N 0.027  77.971 -1.136 4.226  -2.553 -16.369 "HE'1" PLC 81  
PLC "HE'2" "2HE'" H 0 0 N N N -0.448 78.304 -2.881 5.401  -2.252 -15.066 "HE'2" PLC 82  
PLC "HE'3" "3HE'" H 0 0 N N N 0.344  79.544 -2.036 4.317  -3.661 -14.979 "HE'3" PLC 83  
PLC H1A1   '1H1"' H 0 0 N N N 2.237  86.629 4.947  1.172  0.681  2.395   H1A1   PLC 84  
PLC H1A2   '2H1"' H 0 0 N N N 3.020  85.890 3.675  -0.439 0.669  3.150   H1A2   PLC 85  
PLC H2A1   '1H2"' H 0 0 N N N 3.295  88.704 2.974  0.298  2.409  4.755   H2A1   PLC 86  
PLC H2A2   '2H2"' H 0 0 N N N 3.365  88.748 4.689  1.910  2.421  4.000   H2A2   PLC 87  
PLC H3A1   '1H3"' H 0 0 N N N 5.188  86.745 3.237  2.198  0.026  4.577   H3A1   PLC 88  
PLC H3A2   '2H3"' H 0 0 N N N 5.574  88.403 3.109  0.586  0.015  5.332   H3A2   PLC 89  
PLC H4A1   '1H4"' H 0 0 N N N 6.558  88.376 5.207  1.324  1.754  6.937   H4A1   PLC 90  
PLC H4A2   '2H4"' H 0 0 N N N 5.057  88.078 5.944  2.936  1.766  6.182   H4A2   PLC 91  
PLC H5A1   '1H5"' H 0 0 N N N 5.461  85.505 5.089  3.224  -0.627 6.759   H5A1   PLC 92  
PLC H5A2   '2H5"' H 0 0 N N N 7.102  86.006 4.952  1.612  -0.639 7.514   H5A2   PLC 93  
PLC H6A1   '1H6"' H 0 0 N N N 7.367  86.326 7.367  2.350  1.100  9.119   H6A1   PLC 94  
PLC H6A2   '2H6"' H 0 0 N N N 5.713  86.510 7.655  3.962  1.112  8.364   H6A2   PLC 95  
PLC H7A1   '1H7"' H 0 0 N N N 6.873  83.862 6.473  4.250  -1.282 8.941   H7A1   PLC 96  
PLC H7A2   '2H7"' H 0 0 N N N 6.813  84.133 8.165  2.638  -1.293 9.696   H7A2   PLC 97  
PLC H8A1   '1H8"' H 0 0 N N N 4.096  84.564 6.867  3.376  0.446  11.301  H8A1   PLC 98  
PLC H8A2   '2H8"' H 0 0 N N N 4.704  83.021 6.530  4.988  0.457  10.546  H8A2   PLC 99  
PLC H9A1   '1H9"' H 0 0 N N N 5.147  82.557 9.010  5.276  -1.936 11.123  H9A1   PLC 100 
PLC H9A2   '2H9"' H 0 0 N N N 4.761  84.172 9.427  3.664  -1.948 11.878  H9A2   PLC 101 
PLC HTA1   '1HT"' H 0 0 N N N 2.326  83.621 8.300  4.402  -0.208 13.483  HTA1   PLC 102 
PLC HTA2   '2HT"' H 0 0 N N N 2.795  81.995 8.434  6.014  -0.196 12.728  HTA2   PLC 103 
PLC HEA1   '1HE"' H 0 0 N N N 1.550  82.697 10.556 6.302  -2.591 13.305  HEA1   PLC 104 
PLC HEA2   '2HE"' H 0 0 N N N 3.301  82.353 11.004 4.690  -2.602 14.060  HEA2   PLC 105 
PLC HEA3   '3HE"' H 0 0 N N N 2.832  83.979 10.870 5.994  -1.615 14.762  HEA3   PLC 106 
PLC HOP2   2HOP   H 0 0 N N N 0.787  82.408 7.784  -4.373 1.207  1.739   HOP2   PLC 107 
# 
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 
PLC C1    C2     SING N N 1   
PLC C1    O3P    SING N N 2   
PLC C1    H11    SING N N 3   
PLC C1    H12    SING N N 4   
PLC C2    C3     SING N N 5   
PLC C2    O2     SING N N 6   
PLC C2    H2     SING N N 7   
PLC C3    O3     SING N N 8   
PLC C3    H31    SING N N 9   
PLC C3    H32    SING N N 10  
PLC C4    C5     SING N N 11  
PLC C4    O4P    SING N N 12  
PLC C4    H41    SING N N 13  
PLC C4    H42    SING N N 14  
PLC C5    N      SING N N 15  
PLC C5    H51    SING N N 16  
PLC C5    H52    SING N N 17  
PLC C6    N      SING N N 18  
PLC C6    H61    SING N N 19  
PLC C6    H62    SING N N 20  
PLC C6    H63    SING N N 21  
PLC C7    N      SING N N 22  
PLC C7    H71    SING N N 23  
PLC C7    H72    SING N N 24  
PLC C7    H73    SING N N 25  
PLC C8    N      SING N N 26  
PLC C8    H81    SING N N 27  
PLC C8    H82    SING N N 28  
PLC C8    H83    SING N N 29  
PLC "C'"  "C1'"  SING N N 30  
PLC "C'"  "O'"   DOUB N N 31  
PLC "C'"  O2     SING N N 32  
PLC "C1'" "C2'"  SING N N 33  
PLC "C1'" "H1'1" SING N N 34  
PLC "C1'" "H1'2" SING N N 35  
PLC "C2'" "C3'"  SING N N 36  
PLC "C2'" "H2'1" SING N N 37  
PLC "C2'" "H2'2" SING N N 38  
PLC "C3'" "C4'"  SING N N 39  
PLC "C3'" "H3'1" SING N N 40  
PLC "C3'" "H3'2" SING N N 41  
PLC "C4'" "C5'"  SING N N 42  
PLC "C4'" "H4'1" SING N N 43  
PLC "C4'" "H4'2" SING N N 44  
PLC "C5'" "C6'"  SING N N 45  
PLC "C5'" "H5'1" SING N N 46  
PLC "C5'" "H5'2" SING N N 47  
PLC "C6'" "C7'"  SING N N 48  
PLC "C6'" "H6'1" SING N N 49  
PLC "C6'" "H6'2" SING N N 50  
PLC "C7'" "C8'"  SING N N 51  
PLC "C7'" "H7'1" SING N N 52  
PLC "C7'" "H7'2" SING N N 53  
PLC "C8'" "C9'"  SING N N 54  
PLC "C8'" "H8'1" SING N N 55  
PLC "C8'" "H8'2" SING N N 56  
PLC "C9'" "CA'"  SING N N 57  
PLC "C9'" "H9'1" SING N N 58  
PLC "C9'" "H9'2" SING N N 59  
PLC "CA'" "CB'"  SING N N 60  
PLC "CA'" "HT'1" SING N N 61  
PLC "CA'" "HT'2" SING N N 62  
PLC "CB'" "HE'1" SING N N 63  
PLC "CB'" "HE'2" SING N N 64  
PLC "CB'" "HE'3" SING N N 65  
PLC CB    C1B    SING N N 66  
PLC CB    OB     DOUB N N 67  
PLC CB    O3     SING N N 68  
PLC C1B   C2B    SING N N 69  
PLC C1B   H1A1   SING N N 70  
PLC C1B   H1A2   SING N N 71  
PLC C2B   C3B    SING N N 72  
PLC C2B   H2A1   SING N N 73  
PLC C2B   H2A2   SING N N 74  
PLC C3B   C4B    SING N N 75  
PLC C3B   H3A1   SING N N 76  
PLC C3B   H3A2   SING N N 77  
PLC C4B   C5B    SING N N 78  
PLC C4B   H4A1   SING N N 79  
PLC C4B   H4A2   SING N N 80  
PLC C5B   C6B    SING N N 81  
PLC C5B   H5A1   SING N N 82  
PLC C5B   H5A2   SING N N 83  
PLC C6B   C7B    SING N N 84  
PLC C6B   H6A1   SING N N 85  
PLC C6B   H6A2   SING N N 86  
PLC C7B   C8B    SING N N 87  
PLC C7B   H7A1   SING N N 88  
PLC C7B   H7A2   SING N N 89  
PLC C8B   C9B    SING N N 90  
PLC C8B   H8A1   SING N N 91  
PLC C8B   H8A2   SING N N 92  
PLC C9B   CAA    SING N N 93  
PLC C9B   H9A1   SING N N 94  
PLC C9B   H9A2   SING N N 95  
PLC CAA   CBA    SING N N 96  
PLC CAA   HTA1   SING N N 97  
PLC CAA   HTA2   SING N N 98  
PLC CBA   HEA1   SING N N 99  
PLC CBA   HEA2   SING N N 100 
PLC CBA   HEA3   SING N N 101 
PLC O1P   P      DOUB N N 102 
PLC O2P   P      SING N N 103 
PLC O2P   HOP2   SING N N 104 
PLC O3P   P      SING N N 105 
PLC O4P   P      SING N N 106 
# 
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 
PLC SMILES           ACDLabs              10.04 O=C(OCC(OC(=O)CCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCC                                                                                                                                 
PLC InChI            InChI                1.02b InChI=1/C32H64NO8P/c1-6-8-10-12-14-16-18-20-22-24-31(34)38-28-30(29-40-42(36,37)39-27-26-33(3,4)5)41-32(35)25-23-21-19-17-15-13-11-9-7-2/h30H,6-29H2,1-5H3/p+1/t30-/m1/s1/fC32H65NO8P/h36H/q+1 
PLC InChIKey         InChI                1.02b IJFVSSZAOYLHEE-JRGCUGLYDF                                                                                                                                                                      
PLC SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC                                                                                                                         
PLC SMILES           CACTVS               3.341 CCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC                                                                                                                            
PLC SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC                                                                                                                          
PLC SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC                                                                                                                                 
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loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
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_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
PLC "SYSTEMATIC NAME" ACDLabs              10.04 "(4R,7R)-7-(dodecanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphahenicosan-1-aminium 4-oxide" 
PLC "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 2-[[(2R)-2,3-di(dodecanoyloxy)propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium                           
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