data_9TL
#

_chem_comp.id                                   9TL
_chem_comp.name                                 "2-azaniumylethyl (2R)-2,3-bis{[(9Z)-octadec-9-enoyl]oxy}propyl phosphate"
_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C41 H78 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                    2018-07-30
_chem_comp.pdbx_modified_date                   2021-10-04
_chem_comp.pdbx_ambiguous_flag                  N
_chem_comp.pdbx_release_status                  OBS
_chem_comp.pdbx_replaced_by                     PEE
_chem_comp.pdbx_replaces                        ?
_chem_comp.formula_weight                       744.034
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    ?
_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       6A9J
_chem_comp.pdbx_subcomponent_list               ?
_chem_comp.pdbx_processing_site                 PDBJ
#   #
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
9TL  CBE  C1   C   0  1  N  N  N  70.970  -31.174  35.556   16.703  -8.956   0.274  CBE  9TL    1  
9TL  CBF  C2   C   0  1  N  N  N  72.288  -30.459  35.257   15.687  -7.907   0.730  CBF  9TL    2  
9TL  CBG  C3   C   0  1  N  N  N  73.452  -31.413  35.522   15.882  -6.623  -0.079  CBG  9TL    3  
9TL  CBH  C4   C   0  1  N  N  N  74.769  -30.700  35.211   14.865  -5.574   0.377  CBH  9TL    4  
9TL  CBI  C5   C   0  1  N  N  N  74.989  -30.669  33.698   15.060  -4.290  -0.432  CBI  9TL    5  
9TL  CBJ  C6   C   0  1  N  N  N  76.094  -29.665  33.361   14.043  -3.241   0.023  CBJ  9TL    6  
9TL  CBK  C7   C   0  1  N  N  N  76.544  -29.877  31.915   14.238  -1.957  -0.785  CBK  9TL    7  
9TL  CBL  C8   C   0  1  N  N  N  77.659  -28.889  31.564   13.222  -0.908  -0.330  CBL  9TL    8  
9TL  CBM  C9   C   0  1  N  N  N  77.064  -27.520  31.216   13.413   0.356  -1.126  CBM  9TL    9  
9TL  CBN  C10  C   0  1  N  N  N  76.852  -27.239  29.722   12.394   0.906  -1.739  CBN  9TL   10  
9TL  CBO  C11  C   0  1  N  N  N  77.249  -28.365  28.759   11.003   0.374  -1.512  CBO  9TL   11  
9TL  CBP  C12  C   0  1  N  N  N  78.678  -28.142  28.252   10.083   1.519  -1.083  CBP  9TL   12  
9TL  CBQ  C13  C   0  1  N  N  N  78.666  -27.832  26.754    8.670   0.979  -0.852  CBQ  9TL   13  
9TL  CBR  C14  C   0  1  N  N  N  80.093  -27.536  26.287    7.750   2.124  -0.423  CBR  9TL   14  
9TL  CBS  C15  C   0  1  N  N  N  80.871  -28.847  26.140    6.338   1.584  -0.192  CBS  9TL   15  
9TL  CBT  C16  C   0  1  N  N  N  82.290  -28.553  25.641    5.418   2.730   0.237  CBT  9TL   16  
9TL  CBU  C17  C   0  1  N  N  N  82.221  -27.646  24.409    4.005   2.190   0.468  CBU  9TL   17  
9TL  CBV  C18  C   0  1  N  N  N  83.560  -27.667  23.666    3.099   3.318   0.890  CBV  9TL   18  
9TL  OBY  O1   O   0  1  N  N  N  84.612  -27.900  24.259    3.538   4.438   0.996  OBY  9TL   19  
9TL  OBW  O2   O   0  1  N  N  N  83.480  -27.419  22.330    1.804   3.077   1.149  OBW  9TL   20  
9TL  CAW  C19  C   0  1  N  N  R  84.242  -26.255  21.993    0.991   4.211   1.551  CAW  9TL   21  
9TL  CAX  C20  C   0  1  N  N  N  84.844  -26.433  20.597    0.381   4.866   0.310  CAX  9TL   22  
9TL  OAY  O3   O   0  1  N  N  N  86.259  -26.222  20.646   -0.525   3.954  -0.314  OAY  9TL   23  
9TL  PAZ  P1   P   0  1  N  N  N  86.866  -24.733  20.834   -1.349   4.312  -1.650  PAZ  9TL   24  
9TL  OBX  O4   O  -1  1  N  N  N  86.895  -24.476  22.433   -2.339   5.460  -1.352  OBX  9TL   25  
9TL  OAB  O5   O   0  1  N  N  N  88.215  -24.611  20.225   -0.366   4.753  -2.758  OAB  9TL   26  
9TL  OBA  O6   O   0  1  N  N  N  85.788  -23.718  20.202   -2.164   3.014  -2.142  OBA  9TL   27  
9TL  CBB  C21  C   0  1  N  N  N  86.219  -22.494  19.602   -2.911   2.979  -3.359  CBB  9TL   28  
9TL  CBC  C22  C   0  1  N  N  N  85.557  -22.350  18.232   -3.559   1.603  -3.521  CBC  9TL   29  
9TL  NBD  N1   N   1  1  N  N  N  84.228  -22.977  18.231   -4.547   1.398  -2.453  NBD  9TL   30  
9TL  CAV  C23  C   0  1  N  N  N  83.335  -25.021  21.998   -0.129   3.733   2.478  CAV  9TL   31  
9TL  OAU  O7   O   0  1  N  N  N  83.034  -24.629  23.342   -1.025   2.858   1.742  OAU  9TL   32  
9TL  CAT  C24  C   0  1  N  N  N  82.332  -23.462  23.337   -2.068   2.349   2.416  CAT  9TL   33  
9TL  OAA  O8   O   0  1  N  N  N  81.193  -23.343  23.787   -2.228   2.625   3.582  OAA  9TL   34  
9TL  CAS  C25  C   0  1  N  N  N  83.059  -22.270  22.709   -3.041   1.434   1.719  CAS  9TL   35  
9TL  CAR  C26  C   0  1  N  N  N  83.725  -21.421  23.797   -4.128   0.998   2.705  CAR  9TL   36  
9TL  CAQ  C27  C   0  1  N  N  N  84.607  -20.364  23.130   -5.115   0.069   1.997  CAQ  9TL   37  
9TL  CAP  C28  C   0  1  N  N  N  85.113  -19.344  24.153   -6.202  -0.367   2.982  CAP  9TL   38  
9TL  CAO  C29  C   0  1  N  N  N  83.919  -18.621  24.776   -7.190  -1.296   2.275  CAO  9TL   39  
9TL  CAN  C30  C   0  1  N  N  N  84.220  -17.127  24.917   -8.276  -1.732   3.260  CAN  9TL   40  
9TL  CAM  C31  C   0  1  N  N  N  82.916  -16.394  25.251   -9.264  -2.661   2.552  CAM  9TL   41  
9TL  CAL  C32  C   0  1  N  N  N  83.191  -14.909  25.510  -10.334  -3.090   3.523  CAL  9TL   42  
9TL  CAK  C33  C   0  1  N  N  N  82.018  -14.119  26.101  -11.598  -2.944   3.211  CAK  9TL   43  
9TL  CAJ  C34  C   0  1  N  N  N  80.745  -14.928  26.360  -11.986  -2.507   1.822  CAJ  9TL   44  
9TL  CAI  C35  C   0  1  N  N  N  80.666  -15.293  27.846  -12.988  -3.503   1.236  CAI  9TL   45  
9TL  CAH  C36  C   0  1  N  N  N  79.934  -14.188  28.611  -13.381  -3.060  -0.175  CAH  9TL   46  
9TL  CAG  C37  C   0  1  N  N  N  78.582  -14.717  29.099  -14.384  -4.057  -0.761  CAG  9TL   47  
9TL  CAF  C38  C   0  1  N  N  N  78.703  -15.159  30.560  -14.777  -3.614  -2.172  CAF  9TL   48  
9TL  CAE  C39  C   0  1  N  N  N  77.544  -16.093  30.919  -15.780  -4.610  -2.758  CAE  9TL   49  
9TL  CAD  C40  C   0  1  N  N  N  77.845  -17.507  30.414  -16.173  -4.167  -4.169  CAD  9TL   50  
9TL  CAC  C41  C   0  1  N  N  N  76.639  -18.413  30.680  -17.175  -5.163  -4.755  CAC  9TL   51  
9TL  H1   H1   H   0  1  N  N  N  70.130  -30.490  35.366   16.565  -9.871   0.850  H1   9TL   52  
9TL  H2   H2   H   0  1  N  N  N  70.877  -32.058  34.907   16.557  -9.168  -0.785  H2   9TL   53  
9TL  H3   H3   H   0  1  N  N  N  70.955  -31.489  36.610   17.713  -8.576   0.432  H3   9TL   54  
9TL  H4   H4   H   0  1  N  N  N  72.382  -29.576  35.906   14.677  -8.287   0.571  H4   9TL   55  
9TL  H5   H5   H   0  1  N  N  N  72.304  -30.144  34.203   15.833  -7.695   1.789  H5   9TL   56  
9TL  H6   H6   H   0  1  N  N  N  73.354  -32.300  34.880   16.891  -6.244   0.079  H6   9TL   57  
9TL  H7   H7   H   0  1  N  N  N  73.441  -31.722  36.578   15.735  -6.835  -1.138  H7   9TL   58  
9TL  H8   H8   H   0  1  N  N  N  75.599  -31.239  35.691   13.856  -5.954   0.218  H8   9TL   59  
9TL  H9   H9   H   0  1  N  N  N  74.728  -29.671  35.596   15.012  -5.362   1.436  H9   9TL   60  
9TL  H10  H10  H   0  1  N  N  N  74.056  -30.368  33.198   16.069  -3.911  -0.274  H10  9TL   61  
9TL  H11  H11  H   0  1  N  N  N  75.285  -31.670  33.350   14.913  -4.502  -1.491  H11  9TL   62  
9TL  H12  H12  H   0  1  N  N  N  76.948  -29.817  34.038   13.034  -3.621  -0.135  H12  9TL   63  
9TL  H13  H13  H   0  1  N  N  N  75.709  -28.641  33.480   14.190  -3.029   1.082  H13  9TL   64  
9TL  H14  H14  H   0  1  N  N  N  75.690  -29.717  31.240   15.248  -1.578  -0.627  H14  9TL   65  
9TL  H15  H15  H   0  1  N  N  N  76.917  -30.905  31.797   14.092  -2.169  -1.844  H15  9TL   66  
9TL  H16  H16  H   0  1  N  N  N  78.223  -29.270  30.700   12.212  -1.288  -0.488  H16  9TL   67  
9TL  H17  H17  H   0  1  N  N  N  78.335  -28.783  32.425   13.368  -0.696   0.729  H17  9TL   68  
9TL  H18  H18  H   0  1  N  N  N  76.809  -26.797  31.976   14.391   0.810  -1.192  H18  9TL   69  
9TL  H19  H19  H   0  1  N  N  N  76.447  -26.302  29.369   12.551   1.739  -2.407  H19  9TL   70  
9TL  H20  H20  H   0  1  N  N  N  76.557  -28.374  27.904   10.627  -0.068  -2.434  H20  9TL   71  
9TL  H21  H21  H   0  1  N  N  N  77.195  -29.330  29.285   11.027  -0.385  -0.729  H21  9TL   72  
9TL  H22  H22  H   0  1  N  N  N  79.272  -29.050  28.430   10.459   1.961  -0.160  H22  9TL   73  
9TL  H23  H23  H   0  1  N  N  N  79.128  -27.297  28.794   10.059   2.278  -1.865  H23  9TL   74  
9TL  H24  H24  H   0  1  N  N  N  78.028  -26.956  26.565    8.294   0.538  -1.775  H24  9TL   75  
9TL  H25  H25  H   0  1  N  N  N  78.271  -28.698  26.203    8.694   0.220  -0.069  H25  9TL   76  
9TL  H26  H26  H   0  1  N  N  N  80.594  -26.895  27.027    8.126   2.566   0.500  H26  9TL   77  
9TL  H27  H27  H   0  1  N  N  N  80.060  -27.020  25.316    7.726   2.883  -1.205  H27  9TL   78  
9TL  H28  H28  H   0  1  N  N  N  80.357  -29.498  25.418    5.962   1.143  -1.115  H28  9TL   79  
9TL  H29  H29  H   0  1  N  N  N  80.924  -29.352  27.116    6.362   0.826   0.590  H29  9TL   80  
9TL  H30  H30  H   0  1  N  N  N  82.788  -29.497  25.374    5.793   3.171   1.160  H30  9TL   81  
9TL  H31  H31  H   0  1  N  N  N  82.861  -28.050  26.435    5.393   3.488  -0.545  H31  9TL   82  
9TL  H32  H32  H   0  1  N  N  N  81.997  -26.617  24.727    3.629   1.748  -0.455  H32  9TL   83  
9TL  H33  H33  H   0  1  N  N  N  81.426  -28.004  23.738    4.029   1.431   1.250  H33  9TL   84  
9TL  H34  H34  H   0  1  N  N  N  85.055  -26.105  22.718    1.612   4.936   2.076  H34  9TL   85  
9TL  H35  H35  H   0  1  N  N  N  84.390  -25.705  19.909   -0.156   5.768   0.603  H35  9TL   86  
9TL  H36  H36  H   0  1  N  N  N  84.640  -27.453  20.239    1.174   5.127  -0.390  H36  9TL   87  
9TL  H38  H38  H   0  1  N  N  N  87.313  -22.507  19.483   -3.686   3.745  -3.332  H38  9TL   88  
9TL  H39  H39  H   0  1  N  N  N  85.929  -21.648  20.242   -2.243   3.168  -4.201  H39  9TL   89  
9TL  H40  H40  H   0  1  N  N  N  86.187  -22.837  17.473   -4.055   1.546  -4.490  H40  9TL   90  
9TL  H41  H41  H   0  1  N  N  N  85.453  -21.282  17.991   -2.792   0.830  -3.460  H41  9TL   91  
9TL  H42  H42  H   0  1  N  N  N  83.811  -22.873  17.328   -4.975   0.490  -2.560  H42  9TL   92  
9TL  H43  H43  H   0  1  N  N  N  84.318  -23.949  18.447   -4.088   1.451  -1.556  H43  9TL   93  
9TL  H44  H44  H   0  1  N  N  N  83.651  -22.535  18.918   -5.257   2.113  -2.511  H44  9TL   94  
9TL  H45  H45  H   0  1  N  N  N  83.846  -24.193  21.485    0.303   3.188   3.318  H45  9TL   95  
9TL  H46  H46  H   0  1  N  N  N  82.399  -25.257  21.471   -0.685   4.593   2.850  H46  9TL   96  
9TL  H47  H47  H   0  1  N  N  N  83.828  -22.639  22.015   -3.500   1.960   0.882  H47  9TL   97  
9TL  H48  H48  H   0  1  N  N  N  82.334  -21.652  22.159   -2.513   0.555   1.350  H48  9TL   98  
9TL  H49  H49  H   0  1  N  N  N  82.952  -20.927  24.405   -3.669   0.472   3.542  H49  9TL   99  
9TL  H50  H50  H   0  1  N  N  N  84.343  -22.064  24.441   -4.656   1.877   3.074  H50  9TL  100  
9TL  H51  H51  H   0  1  N  N  N  85.469  -20.860  22.660   -5.574   0.595   1.160  H51  9TL  101  
9TL  H52  H52  H   0  1  N  N  N  84.021  -19.841  22.360   -4.587  -0.810   1.628  H52  9TL  102  
9TL  H53  H53  H   0  1  N  N  N  85.680  -19.863  24.940   -5.743  -0.893   3.819  H53  9TL  103  
9TL  H54  H54  H   0  1  N  N  N  85.765  -18.613  23.652   -6.731   0.512   3.352  H54  9TL  104  
9TL  H55  H55  H   0  1  N  N  N  83.037  -18.755  24.132   -7.648  -0.770   1.438  H55  9TL  105  
9TL  H56  H56  H   0  1  N  N  N  83.715  -19.046  25.770   -6.661  -2.175   1.905  H56  9TL  106  
9TL  H57  H57  H   0  1  N  N  N  84.950  -16.971  25.725   -7.817  -2.258   4.097  H57  9TL  107  
9TL  H58  H58  H   0  1  N  N  N  84.630  -16.741  23.972   -8.805  -0.853   3.629  H58  9TL  108  
9TL  H59  H59  H   0  1  N  N  N  82.218  -16.492  24.406   -9.722  -2.135   1.715  H59  9TL  109  
9TL  H60  H60  H   0  1  N  N  N  82.468  -16.842  26.150   -8.735  -3.540   2.183  H60  9TL  110  
9TL  H61  H61  H   0  1  N  N  N  84.144  -14.451  25.291  -10.059  -3.518   4.476  H61  9TL  111  
9TL  H62  H62  H   0  1  N  N  N  82.085  -13.064  26.320  -12.362  -3.136   3.950  H62  9TL  112  
9TL  H63  H63  H   0  1  N  N  N  79.866  -14.328  26.083  -12.440  -1.518   1.866  H63  9TL  113  
9TL  H64  H64  H   0  1  N  N  N  80.766  -15.848  25.757  -11.097  -2.471   1.191  H64  9TL  114  
9TL  H65  H65  H   0  1  N  N  N  80.120  -16.241  27.961  -12.533  -4.493   1.192  H65  9TL  115  
9TL  H66  H66  H   0  1  N  N  N  81.683  -15.405  28.250  -13.876  -3.539   1.866  H66  9TL  116  
9TL  H67  H67  H   0  1  N  N  N  80.540  -13.876  29.475  -13.836  -2.071  -0.131  H67  9TL  117  
9TL  H68  H68  H   0  1  N  N  N  79.773  -13.326  27.946  -12.493  -3.025  -0.806  H68  9TL  118  
9TL  H69  H69  H   0  1  N  N  N  77.826  -13.922  29.018  -13.929  -5.046  -0.805  H69  9TL  119  
9TL  H70  H70  H   0  1  N  N  N  78.279  -15.575  28.480  -15.272  -4.092  -0.131  H70  9TL  120  
9TL  H71  H71  H   0  1  N  N  N  79.656  -15.689  30.703  -15.232  -2.624  -2.128  H71  9TL  121  
9TL  H72  H72  H   0  1  N  N  N  78.674  -14.274  31.213  -13.889  -3.578  -2.803  H72  9TL  122  
9TL  H73  H73  H   0  1  N  N  N  76.620  -15.726  30.449  -15.325  -5.599  -2.802  H73  9TL  123  
9TL  H74  H74  H   0  1  N  N  N  77.417  -16.114  32.011  -16.668  -4.646  -2.128  H74  9TL  124  
9TL  H75  H75  H   0  1  N  N  N  78.725  -17.905  30.941  -16.628  -3.177  -4.125  H75  9TL  125  
9TL  H76  H76  H   0  1  N  N  N  78.048  -17.475  29.333  -15.285  -4.131  -4.800  H76  9TL  126  
9TL  H77  H77  H   0  1  N  N  N  76.856  -19.429  30.317  -18.064  -5.199  -4.125  H77  9TL  127  
9TL  H78  H78  H   0  1  N  N  N  76.436  -18.445  31.761  -17.456  -4.847  -5.760  H78  9TL  128  
9TL  H79  H79  H   0  1  N  N  N  75.759  -18.016  30.153  -16.721  -6.153  -4.799  H79  9TL  129  
#   #
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
9TL  NBD  CBC  SING  N  N    1  
9TL  CBC  CBB  SING  N  N    2  
9TL  CBB  OBA  SING  N  N    3  
9TL  OBA  PAZ  SING  N  N    4  
9TL  OAB  PAZ  DOUB  N  N    5  
9TL  CAX  OAY  SING  N  N    6  
9TL  CAX  CAW  SING  N  N    7  
9TL  OAY  PAZ  SING  N  N    8  
9TL  PAZ  OBX  SING  N  N    9  
9TL  CAW  CAV  SING  N  N   10  
9TL  CAW  OBW  SING  N  N   11  
9TL  CAV  OAU  SING  N  N   12  
9TL  OBW  CBV  SING  N  N   13  
9TL  CAS  CAT  SING  N  N   14  
9TL  CAS  CAR  SING  N  N   15  
9TL  CAQ  CAR  SING  N  N   16  
9TL  CAQ  CAP  SING  N  N   17  
9TL  CAT  OAU  SING  N  N   18  
9TL  CAT  OAA  DOUB  N  N   19  
9TL  CBV  OBY  DOUB  N  N   20  
9TL  CBV  CBU  SING  N  N   21  
9TL  CAP  CAO  SING  N  N   22  
9TL  CBU  CBT  SING  N  N   23  
9TL  CAO  CAN  SING  N  N   24  
9TL  CAN  CAM  SING  N  N   25  
9TL  CAM  CAL  SING  N  N   26  
9TL  CAL  CAK  DOUB  N  Z   27  
9TL  CBT  CBS  SING  N  N   28  
9TL  CAK  CAJ  SING  N  N   29  
9TL  CBS  CBR  SING  N  N   30  
9TL  CBR  CBQ  SING  N  N   31  
9TL  CAJ  CAI  SING  N  N   32  
9TL  CBQ  CBP  SING  N  N   33  
9TL  CAI  CAH  SING  N  N   34  
9TL  CBP  CBO  SING  N  N   35  
9TL  CAH  CAG  SING  N  N   36  
9TL  CBO  CBN  SING  N  N   37  
9TL  CAG  CAF  SING  N  N   38  
9TL  CBN  CBM  DOUB  N  Z   39  
9TL  CAD  CAC  SING  N  N   40  
9TL  CAD  CAE  SING  N  N   41  
9TL  CAF  CAE  SING  N  N   42  
9TL  CBM  CBL  SING  N  N   43  
9TL  CBL  CBK  SING  N  N   44  
9TL  CBK  CBJ  SING  N  N   45  
9TL  CBJ  CBI  SING  N  N   46  
9TL  CBI  CBH  SING  N  N   47  
9TL  CBH  CBG  SING  N  N   48  
9TL  CBF  CBG  SING  N  N   49  
9TL  CBF  CBE  SING  N  N   50  
9TL  CBE  H1   SING  N  N   51  
9TL  CBE  H2   SING  N  N   52  
9TL  CBE  H3   SING  N  N   53  
9TL  CBF  H4   SING  N  N   54  
9TL  CBF  H5   SING  N  N   55  
9TL  CBG  H6   SING  N  N   56  
9TL  CBG  H7   SING  N  N   57  
9TL  CBH  H8   SING  N  N   58  
9TL  CBH  H9   SING  N  N   59  
9TL  CBI  H10  SING  N  N   60  
9TL  CBI  H11  SING  N  N   61  
9TL  CBJ  H12  SING  N  N   62  
9TL  CBJ  H13  SING  N  N   63  
9TL  CBK  H14  SING  N  N   64  
9TL  CBK  H15  SING  N  N   65  
9TL  CBL  H16  SING  N  N   66  
9TL  CBL  H17  SING  N  N   67  
9TL  CBM  H18  SING  N  N   68  
9TL  CBN  H19  SING  N  N   69  
9TL  CBO  H20  SING  N  N   70  
9TL  CBO  H21  SING  N  N   71  
9TL  CBP  H22  SING  N  N   72  
9TL  CBP  H23  SING  N  N   73  
9TL  CBQ  H24  SING  N  N   74  
9TL  CBQ  H25  SING  N  N   75  
9TL  CBR  H26  SING  N  N   76  
9TL  CBR  H27  SING  N  N   77  
9TL  CBS  H28  SING  N  N   78  
9TL  CBS  H29  SING  N  N   79  
9TL  CBT  H30  SING  N  N   80  
9TL  CBT  H31  SING  N  N   81  
9TL  CBU  H32  SING  N  N   82  
9TL  CBU  H33  SING  N  N   83  
9TL  CAW  H34  SING  N  N   84  
9TL  CAX  H35  SING  N  N   85  
9TL  CAX  H36  SING  N  N   86  
9TL  CBB  H38  SING  N  N   87  
9TL  CBB  H39  SING  N  N   88  
9TL  CBC  H40  SING  N  N   89  
9TL  CBC  H41  SING  N  N   90  
9TL  NBD  H42  SING  N  N   91  
9TL  NBD  H43  SING  N  N   92  
9TL  NBD  H44  SING  N  N   93  
9TL  CAV  H45  SING  N  N   94  
9TL  CAV  H46  SING  N  N   95  
9TL  CAS  H47  SING  N  N   96  
9TL  CAS  H48  SING  N  N   97  
9TL  CAR  H49  SING  N  N   98  
9TL  CAR  H50  SING  N  N   99  
9TL  CAQ  H51  SING  N  N  100  
9TL  CAQ  H52  SING  N  N  101  
9TL  CAP  H53  SING  N  N  102  
9TL  CAP  H54  SING  N  N  103  
9TL  CAO  H55  SING  N  N  104  
9TL  CAO  H56  SING  N  N  105  
9TL  CAN  H57  SING  N  N  106  
9TL  CAN  H58  SING  N  N  107  
9TL  CAM  H59  SING  N  N  108  
9TL  CAM  H60  SING  N  N  109  
9TL  CAL  H61  SING  N  N  110  
9TL  CAK  H62  SING  N  N  111  
9TL  CAJ  H63  SING  N  N  112  
9TL  CAJ  H64  SING  N  N  113  
9TL  CAI  H65  SING  N  N  114  
9TL  CAI  H66  SING  N  N  115  
9TL  CAH  H67  SING  N  N  116  
9TL  CAH  H68  SING  N  N  117  
9TL  CAG  H69  SING  N  N  118  
9TL  CAG  H70  SING  N  N  119  
9TL  CAF  H71  SING  N  N  120  
9TL  CAF  H72  SING  N  N  121  
9TL  CAE  H73  SING  N  N  122  
9TL  CAE  H74  SING  N  N  123  
9TL  CAD  H75  SING  N  N  124  
9TL  CAD  H76  SING  N  N  125  
9TL  CAC  H77  SING  N  N  126  
9TL  CAC  H78  SING  N  N  127  
9TL  CAC  H79  SING  N  N  128  
#   #
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
9TL  SMILES            ACDLabs               12.01  "CCCCCCCC[C@H]=[C@H]CCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[NH3+]"  
9TL  InChI             InChI                 1.03   "InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,42H2,1-2H3,(H,45,46)/b19-17-,20-18-/t39-/m1/s1"  
9TL  InChIKey          InChI                 1.03   MWRBNPKJOOWZPW-NYVOMTAGSA-N  
9TL  SMILES_CANONICAL  CACTVS                3.385  "CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCC[NH3+])OC(=O)CCCCCCC\C=C/CCCCCCCC"  
9TL  SMILES            CACTVS                3.385  "CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[NH3+])OC(=O)CCCCCCCC=CCCCCCCCC"  
9TL  SMILES_CANONICAL  "OpenEye OEToolkits"  2.0.6  "CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC"  
9TL  SMILES            "OpenEye OEToolkits"  2.0.6  "CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCC=CCCCCCCCC"  
#   #
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
9TL  "SYSTEMATIC NAME"  ACDLabs               12.01  "2-azaniumylethyl (2R)-2,3-bis{[(9Z)-octadec-9-enoyl]oxy}propyl phosphate"  
9TL  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  2.0.6  "2-azaniumylethyl [(2~{R})-2,3-bis[[(~{Z})-octadec-9-enoyl]oxy]propyl] phosphate"  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
9TL  "Create component"    2018-07-30  PDBJ  
9TL  "Initial release"     2019-03-20  RCSB  
9TL  "Obsolete component"  2021-10-04  RCSB  
##
