data_A1LYA
# 
_chem_comp.id                                    A1LYA 
_chem_comp.name                                  "[(2R)-3-[(E)-hexadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C42 H82 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                     2024-02-15 
_chem_comp.pdbx_modified_date                    2024-02-23 
_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                        760.076 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1LYA 
_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        ? 
_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.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_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 
A1LYA O12 O1  O -1 1 N N N N N N 173.605 158.346 121.126 -0.246  -4.554 0.305  O12 A1LYA 1   
A1LYA P   P1  P 0  1 N N N N N N 174.022 159.092 119.880 -1.531  -3.960 -0.313 P   A1LYA 2   
A1LYA O14 O2  O 0  1 N N N N N N 174.380 160.507 120.238 -2.295  -5.067 -1.075 O14 A1LYA 3   
A1LYA O13 O3  O 0  1 N N N N N N 175.335 158.315 119.180 -2.467  -3.369 0.856  O13 A1LYA 4   
A1LYA C11 C1  C 0  1 N N N N N N 175.927 158.916 118.032 -3.060  -4.188 1.866  C11 A1LYA 5   
A1LYA C12 C2  C 0  1 N N N N N N 177.065 159.869 118.514 -3.980  -3.333 2.740  C12 A1LYA 6   
A1LYA N   N1  N 1  1 N N N N N N 177.466 160.817 117.447 -4.650  -4.188 3.729  N   A1LYA 7   
A1LYA C13 C3  C 0  1 N N N N N N 177.970 160.088 116.307 -5.584  -3.379 4.523  C13 A1LYA 8   
A1LYA C14 C4  C 0  1 N N N N N N 176.312 161.624 117.045 -5.390  -5.251 3.036  C14 A1LYA 9   
A1LYA C15 C5  C 0  1 N N N N N N 178.518 161.695 117.957 -3.646  -4.788 4.617  C15 A1LYA 10  
A1LYA O11 O4  O 0  1 N N N N N N 172.758 159.105 118.780 -1.139  -2.779 -1.335 O11 A1LYA 11  
A1LYA C1  C6  C 0  1 N N N N N N 171.510 159.654 119.202 -0.394  -3.002 -2.534 C1  A1LYA 12  
A1LYA C2  C7  C 0  1 N N R N N N 170.373 158.975 118.388 -0.089  -1.660 -3.203 C2  A1LYA 13  
A1LYA O21 O5  O 0  1 N N N N N N 169.180 159.538 118.795 0.767   -0.871 -2.335 O21 A1LYA 14  
A1LYA C21 C8  C 0  1 N N N N N N 168.620 160.379 117.866 2.092   -1.018 -2.490 C21 A1LYA 15  
A1LYA O22 O6  O 0  1 N N N N N N 168.846 160.226 116.707 2.523   -1.780 -3.323 O22 A1LYA 16  
A1LYA C22 C9  C 0  1 N N N N N N 167.708 161.496 118.324 3.044   -0.231 -1.626 C22 A1LYA 17  
A1LYA C23 C10 C 0  1 N N N N N N 166.305 161.006 118.652 4.484   -0.581 -2.003 C23 A1LYA 18  
A1LYA C24 C11 C 0  1 N N N N N N 165.926 161.218 120.130 5.450   0.217  -1.126 C24 A1LYA 19  
A1LYA C25 C12 C 0  1 N N N N N N 165.156 159.995 120.703 6.891   -0.133 -1.503 C25 A1LYA 20  
A1LYA C26 C13 C 0  1 N N N N N N 164.261 160.381 121.928 7.857   0.666  -0.625 C26 A1LYA 21  
A1LYA C27 C14 C 0  1 N N N N N N 164.937 159.953 123.271 9.297   0.315  -1.003 C27 A1LYA 22  
A1LYA C28 C15 C 0  1 N N N N N N 164.088 158.897 124.046 10.263  1.114  -0.125 C28 A1LYA 23  
A1LYA C29 C16 C 0  1 N N N N N N 164.362 158.950 125.579 11.704  0.763  -0.503 C29 A1LYA 24  
A1LYA C2A C17 C 0  1 N N N N N N 163.158 158.406 126.396 12.670  1.562  0.375  C2A A1LYA 25  
A1LYA C2B C18 C 0  1 N N N N N N 162.946 159.224 127.694 14.110  1.212  -0.002 C2B A1LYA 26  
A1LYA C2C C19 C 0  1 N N N N N N 161.976 160.413 127.445 15.076  2.010  0.875  C2C A1LYA 27  
A1LYA C2D C20 C 0  1 N N N N N N 161.860 161.347 128.679 16.517  1.660  0.498  C2D A1LYA 28  
A1LYA C2E C21 C 0  1 N N N N N N 163.256 161.765 129.230 17.483  2.459  1.375  C2E A1LYA 29  
A1LYA C2F C22 C 0  1 N N N N N N 163.651 163.195 128.788 18.923  2.108  0.998  C2F A1LYA 30  
A1LYA C2G C23 C 0  1 N N N N N N 164.458 163.928 129.882 19.889  2.907  1.876  C2G A1LYA 31  
A1LYA C2H C24 C 0  1 N N N N N N 163.750 163.865 131.245 21.330  2.557  1.498  C2H A1LYA 32  
A1LYA C2I C25 C 0  1 N N N N N N 163.998 165.122 132.082 22.296  3.355  2.376  C2I A1LYA 33  
A1LYA C3  C26 C 0  1 N N N N N N 170.266 157.451 118.645 -1.397  -0.906 -3.452 C3  A1LYA 34  
A1LYA O31 O7  O 0  1 N N N N N N 170.963 157.181 119.846 -2.115  -0.755 -2.199 O31 A1LYA 35  
A1LYA C31 C27 C 0  1 N N N N N N 170.100 156.851 120.922 -3.334  -0.197 -2.258 C31 A1LYA 36  
A1LYA O32 O8  O 0  1 N N N N N N 169.568 155.788 120.943 -3.825  0.069  -3.330 O32 A1LYA 37  
A1LYA C32 C28 C 0  1 N N N N N N 169.850 157.896 122.027 -4.090  0.099  -0.989 C32 A1LYA 38  
A1LYA C33 C29 C 0  1 N N N N N N 170.223 157.396 123.439 -5.381  0.847  -1.327 C33 A1LYA 39  
A1LYA C34 C30 C 0  1 N N N N N N 169.145 156.477 124.039 -6.149  1.147  -0.038 C34 A1LYA 40  
A1LYA C35 C31 C 0  1 N N N N N N 168.947 156.751 125.532 -7.441  1.895  -0.376 C35 A1LYA 41  
A1LYA C36 C32 C 0  1 N N N N N N 167.467 157.018 125.842 -8.208  2.195  0.913  C36 A1LYA 42  
A1LYA C37 C33 C 0  1 N N N N N N 166.924 156.000 126.837 -9.500  2.943  0.575  C37 A1LYA 43  
A1LYA C38 C34 C 0  1 N N N N N N 167.185 156.478 128.269 -10.268 3.243  1.864  C38 A1LYA 44  
A1LYA C39 C35 C 0  1 N N N N N N 165.893 156.990 128.902 -11.540 3.980  1.531  C39 A1LYA 45  
A1LYA C3A C36 C 0  1 N N N N N N 165.634 156.649 130.149 -12.693 3.513  1.940  C3A A1LYA 46  
A1LYA C3B C37 C 0  1 N N N N N N 164.348 157.141 130.825 -13.965 4.249  1.607  C3B A1LYA 47  
A1LYA C3C C38 C 0  1 N N N N N N 163.423 155.947 131.135 -14.934 3.299  0.900  C3C A1LYA 48  
A1LYA C3D C39 C 0  1 N N N N N N 162.329 156.321 132.168 -16.226 4.047  0.562  C3D A1LYA 49  
A1LYA C3E C40 C 0  1 N N N N N N 160.930 155.795 131.773 -17.195 3.097  -0.145 C3E A1LYA 50  
A1LYA C3F C41 C 0  1 N N N N N N 160.046 155.547 133.017 -18.486 3.845  -0.483 C3F A1LYA 51  
A1LYA C3G C42 C 0  1 N N N N N N 158.760 156.385 132.986 -19.455 2.895  -1.189 C3G A1LYA 52  
A1LYA H2  H2  H 0  1 N N N N N N 175.169 159.491 117.480 -3.641  -4.982 1.396  H2  A1LYA 53  
A1LYA H3  H3  H 0  1 N N N N N N 176.346 158.137 117.378 -2.277  -4.627 2.484  H3  A1LYA 54  
A1LYA H4  H4  H 0  1 N N N N N N 177.938 159.266 118.803 -3.391  -2.574 3.255  H4  A1LYA 55  
A1LYA H5  H5  H 0  1 N N N N N N 176.709 160.440 119.384 -4.728  -2.847 2.113  H5  A1LYA 56  
A1LYA H6  H6  H 0  1 N N N N N N 178.837 159.483 116.612 -5.035  -2.590 5.037  H6  A1LYA 57  
A1LYA H7  H7  H 0  1 N N N N N N 177.181 159.428 115.916 -6.329  -2.933 3.864  H7  A1LYA 58  
A1LYA H8  H8  H 0  1 N N N N N N 178.276 160.798 115.524 -6.081  -4.013 5.257  H8  A1LYA 59  
A1LYA H9  H9  H 0  1 N N N N N N 175.930 162.178 117.915 -5.989  -5.806 3.757  H9  A1LYA 60  
A1LYA H10 H10 H 0  1 N N N N N N 176.616 162.335 116.263 -6.043  -4.808 2.284  H10 A1LYA 61  
A1LYA H11 H11 H 0  1 N N N N N N 175.522 160.965 116.655 -4.685  -5.928 2.552  H11 A1LYA 62  
A1LYA H12 H12 H 0  1 N N N N N N 178.141 162.254 118.826 -3.097  -4.000 5.131  H12 A1LYA 63  
A1LYA H13 H13 H 0  1 N N N N N N 179.386 161.090 118.259 -4.142  -5.423 5.351  H13 A1LYA 64  
A1LYA H14 H14 H 0  1 N N N N N N 178.819 162.402 117.170 -2.952  -5.389 4.028  H14 A1LYA 65  
A1LYA H15 H15 H 0  1 N N N N N N 171.501 160.739 119.019 0.541   -3.508 -2.292 H15 A1LYA 66  
A1LYA H16 H16 H 0  1 N N N N N N 171.364 159.462 120.275 -0.978  -3.623 -3.214 H16 A1LYA 67  
A1LYA H17 H17 H 0  1 N N N N N N 170.552 159.145 117.316 0.417   -1.834 -4.152 H17 A1LYA 68  
A1LYA H18 H18 H 0  1 N N N N N N 168.140 161.957 119.224 2.877   0.835  -1.779 H18 A1LYA 69  
A1LYA H19 H19 H 0  1 N N N N N N 167.641 162.247 117.523 2.872   -0.479 -0.578 H19 A1LYA 70  
A1LYA H20 H20 H 0  1 N N N N N N 165.586 161.553 118.024 4.651   -1.648 -1.850 H20 A1LYA 71  
A1LYA H21 H21 H 0  1 N N N N N N 166.247 159.931 118.425 4.656   -0.334 -3.051 H21 A1LYA 72  
A1LYA H22 H22 H 0  1 N N N N N N 166.844 161.369 120.716 5.283   1.283  -1.279 H22 A1LYA 73  
A1LYA H23 H23 H 0  1 N N N N N N 165.289 162.111 120.211 5.279   -0.030 -0.078 H23 A1LYA 74  
A1LYA H24 H24 H 0  1 N N N N N N 164.514 159.578 119.913 7.058   -1.199 -1.350 H24 A1LYA 75  
A1LYA H25 H25 H 0  1 N N N N N N 165.885 159.235 121.022 7.062   0.115  -2.551 H25 A1LYA 76  
A1LYA H26 H26 H 0  1 N N N N N N 164.108 161.470 121.933 7.690   1.732  -0.779 H26 A1LYA 77  
A1LYA H27 H27 H 0  1 N N N N N N 163.289 159.875 121.837 7.685   0.418  0.422  H27 A1LYA 78  
A1LYA H28 H28 H 0  1 N N N N N N 165.924 159.521 123.049 9.464   -0.751 -0.850 H28 A1LYA 79  
A1LYA H29 H29 H 0  1 N N N N N N 165.061 160.843 123.905 9.469   0.563  -2.050 H29 A1LYA 80  
A1LYA H30 H30 H 0  1 N N N N N N 163.021 159.097 123.867 10.096  2.180  -0.278 H30 A1LYA 81  
A1LYA H31 H31 H 0  1 N N N N N N 164.341 157.893 123.673 10.092  0.866  0.922  H31 A1LYA 82  
A1LYA H32 H32 H 0  1 N N N N N N 165.250 158.341 125.804 11.871  -0.303 -0.349 H32 A1LYA 83  
A1LYA H33 H33 H 0  1 N N N N N N 164.549 159.994 125.872 11.875  1.011  -1.550 H33 A1LYA 84  
A1LYA H34 H34 H 0  1 N N N N N N 162.249 158.469 125.780 12.503  2.628  0.222  H34 A1LYA 85  
A1LYA H35 H35 H 0  1 N N N N N N 163.350 157.356 126.661 12.498  1.314  1.423  H35 A1LYA 86  
A1LYA H36 H36 H 0  1 N N N N N N 162.521 158.568 128.468 14.277  0.146  0.151  H36 A1LYA 87  
A1LYA H37 H37 H 0  1 N N N N N N 163.916 159.615 128.036 14.282  1.459  -1.050 H37 A1LYA 88  
A1LYA H38 H38 H 0  1 N N N N N N 162.347 160.999 126.591 14.909  3.077  0.722  H38 A1LYA 89  
A1LYA H39 H39 H 0  1 N N N N N N 160.979 160.013 127.209 14.905  1.763  1.923  H39 A1LYA 90  
A1LYA H40 H40 H 0  1 N N N N N N 161.308 162.253 128.388 16.684  0.594  0.651  H40 A1LYA 91  
A1LYA H41 H41 H 0  1 N N N N N N 161.309 160.820 129.472 16.688  1.908  -0.550 H41 A1LYA 92  
A1LYA H42 H42 H 0  1 N N N N N N 163.229 161.728 130.329 17.316  3.525  1.222  H42 A1LYA 93  
A1LYA H43 H43 H 0  1 N N N N N N 164.011 161.057 128.857 17.311  2.211  2.423  H43 A1LYA 94  
A1LYA H44 H44 H 0  1 N N N N N N 164.263 163.130 127.876 19.090  1.042  1.151  H44 A1LYA 95  
A1LYA H45 H45 H 0  1 N N N N N N 162.736 163.768 128.575 19.095  2.356  -0.049 H45 A1LYA 96  
A1LYA H46 H46 H 0  1 N N N N N N 165.448 163.457 129.972 19.722  3.973  1.722  H46 A1LYA 97  
A1LYA H47 H47 H 0  1 N N N N N N 164.579 164.982 129.591 19.718  2.659  2.923  H47 A1LYA 98  
A1LYA H48 H48 H 0  1 N N N N N N 162.668 163.758 131.078 21.497  1.490  1.651  H48 A1LYA 99  
A1LYA H49 H49 H 0  1 N N N N N N 164.124 162.991 131.799 21.501  2.804  0.451  H49 A1LYA 100 
A1LYA H50 H50 H 0  1 N N N N N N 163.474 165.031 133.045 22.129  4.422  2.223  H50 A1LYA 101 
A1LYA H51 H51 H 0  1 N N N N N N 165.077 165.236 132.262 22.124  3.108  3.424  H51 A1LYA 102 
A1LYA H52 H52 H 0  1 N N N N N N 163.622 166.003 131.541 23.322  3.106  2.107  H52 A1LYA 103 
A1LYA H53 H53 H 0  1 N N N N N N 169.210 157.159 118.748 -1.176  0.078  -3.865 H53 A1LYA 104 
A1LYA H54 H54 H 0  1 N N N N N N 170.721 156.895 117.812 -2.011  -1.467 -4.157 H54 A1LYA 105 
A1LYA H55 H55 H 0  1 N N N N N N 170.451 158.790 121.804 -4.333  -0.836 -0.484 H55 A1LYA 106 
A1LYA H56 H56 H 0  1 N N N N N N 168.782 158.161 122.022 -3.474  0.715  -0.334 H56 A1LYA 107 
A1LYA H57 H57 H 0  1 N N N N N N 171.169 156.838 123.378 -5.138  1.782  -1.831 H57 A1LYA 108 
A1LYA H58 H58 H 0  1 N N N N N N 170.353 158.266 124.099 -5.997  0.231  -1.982 H58 A1LYA 109 
A1LYA H59 H59 H 0  1 N N N N N N 168.194 156.650 123.514 -6.392  0.212  0.466  H59 A1LYA 110 
A1LYA H60 H60 H 0  1 N N N N N N 169.452 155.429 123.905 -5.533  1.763  0.617  H60 A1LYA 111 
A1LYA H61 H61 H 0  1 N N N N N N 169.285 155.877 126.108 -7.198  2.830  -0.880 H61 A1LYA 112 
A1LYA H62 H62 H 0  1 N N N N N N 169.541 157.631 125.820 -8.057  1.278  -1.031 H62 A1LYA 113 
A1LYA H63 H63 H 0  1 N N N N N N 167.365 158.027 126.268 -8.452  1.260  1.417  H63 A1LYA 114 
A1LYA H64 H64 H 0  1 N N N N N N 166.887 156.954 124.909 -7.593  2.811  1.568  H64 A1LYA 115 
A1LYA H65 H65 H 0  1 N N N N N N 165.841 155.882 126.684 -9.257  3.878  0.071  H65 A1LYA 116 
A1LYA H66 H66 H 0  1 N N N N N N 167.424 155.033 126.679 -10.116 2.326  -0.080 H66 A1LYA 117 
A1LYA H67 H67 H 0  1 N N N N N N 167.574 155.640 128.866 -10.511 2.308  2.368  H67 A1LYA 118 
A1LYA H68 H68 H 0  1 N N N N N N 167.927 157.290 128.251 -9.652  3.859  2.518  H68 A1LYA 119 
A1LYA H69 H69 H 0  1 N N N N N N 165.211 157.614 128.344 -11.500 4.892  0.955  H69 A1LYA 120 
A1LYA H70 H70 H 0  1 N N N N N N 166.326 156.024 130.694 -12.733 2.600  2.515  H70 A1LYA 121 
A1LYA H71 H71 H 0  1 N N N N N N 164.604 157.656 131.763 -14.422 4.618  2.525  H71 A1LYA 122 
A1LYA H72 H72 H 0  1 N N N N N N 163.828 157.839 130.153 -13.737 5.090  0.951  H72 A1LYA 123 
A1LYA H73 H73 H 0  1 N N N N N N 162.937 155.622 130.203 -14.477 2.931  -0.018 H73 A1LYA 124 
A1LYA H74 H74 H 0  1 N N N N N N 164.029 155.123 131.540 -15.162 2.459  1.556  H74 A1LYA 125 
A1LYA H75 H75 H 0  1 N N N N N N 162.604 155.892 133.143 -16.683 4.416  1.480  H75 A1LYA 126 
A1LYA H76 H76 H 0  1 N N N N N N 162.283 157.417 132.250 -15.998 4.888  -0.094 H76 A1LYA 127 
A1LYA H77 H77 H 0  1 N N N N N N 160.438 156.537 131.127 -16.738 2.728  -1.063 H77 A1LYA 128 
A1LYA H78 H78 H 0  1 N N N N N N 161.046 154.850 131.223 -17.423 2.257  0.511  H78 A1LYA 129 
A1LYA H79 H79 H 0  1 N N N N N N 159.775 154.482 133.053 -18.944 4.214  0.435  H79 A1LYA 130 
A1LYA H80 H80 H 0  1 N N N N N N 160.619 155.810 133.918 -18.258 4.686  -1.138 H80 A1LYA 131 
A1LYA H81 H81 H 0  1 N N N N N N 158.164 156.177 133.887 -18.998 2.526  -2.108 H81 A1LYA 132 
A1LYA H82 H82 H 0  1 N N N N N N 159.019 157.454 132.957 -19.683 2.055  -0.534 H82 A1LYA 133 
A1LYA H83 H83 H 0  1 N N N N N N 158.175 156.125 132.092 -20.375 3.428  -1.430 H83 A1LYA 134 
# 
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 
A1LYA C13 N   SING N N 1   
A1LYA O22 C21 DOUB N N 2   
A1LYA C14 N   SING N N 3   
A1LYA N   C15 SING N N 4   
A1LYA N   C12 SING N N 5   
A1LYA C21 C22 SING N N 6   
A1LYA C21 O21 SING N N 7   
A1LYA C11 C12 SING N N 8   
A1LYA C11 O13 SING N N 9   
A1LYA C22 C23 SING N N 10  
A1LYA C2  C3  SING N N 11  
A1LYA C2  O21 SING N N 12  
A1LYA C2  C1  SING N N 13  
A1LYA C3  O31 SING N N 14  
A1LYA C23 C24 SING N N 15  
A1LYA O11 C1  SING N N 16  
A1LYA O11 P   SING N N 17  
A1LYA O13 P   SING N N 18  
A1LYA O31 C31 SING N N 19  
A1LYA P   O14 DOUB N N 20  
A1LYA P   O12 SING N N 21  
A1LYA C24 C25 SING N N 22  
A1LYA C25 C26 SING N N 23  
A1LYA C31 O32 DOUB N N 24  
A1LYA C31 C32 SING N N 25  
A1LYA C26 C27 SING N N 26  
A1LYA C32 C33 SING N N 27  
A1LYA C27 C28 SING N N 28  
A1LYA C33 C34 SING N N 29  
A1LYA C34 C35 SING N N 30  
A1LYA C28 C29 SING N N 31  
A1LYA C35 C36 SING N N 32  
A1LYA C29 C2A SING N N 33  
A1LYA C36 C37 SING N N 34  
A1LYA C2A C2B SING N N 35  
A1LYA C37 C38 SING N N 36  
A1LYA C2C C2B SING N N 37  
A1LYA C2C C2D SING N N 38  
A1LYA C38 C39 SING N N 39  
A1LYA C2D C2E SING N N 40  
A1LYA C2F C2E SING N N 41  
A1LYA C2F C2G SING N N 42  
A1LYA C39 C3A DOUB N E 43  
A1LYA C2G C2H SING N N 44  
A1LYA C3A C3B SING N N 45  
A1LYA C3B C3C SING N N 46  
A1LYA C3C C3D SING N N 47  
A1LYA C2H C2I SING N N 48  
A1LYA C3E C3D SING N N 49  
A1LYA C3E C3F SING N N 50  
A1LYA C3G C3F SING N N 51  
A1LYA C11 H2  SING N N 52  
A1LYA C11 H3  SING N N 53  
A1LYA C12 H4  SING N N 54  
A1LYA C12 H5  SING N N 55  
A1LYA C13 H6  SING N N 56  
A1LYA C13 H7  SING N N 57  
A1LYA C13 H8  SING N N 58  
A1LYA C14 H9  SING N N 59  
A1LYA C14 H10 SING N N 60  
A1LYA C14 H11 SING N N 61  
A1LYA C15 H12 SING N N 62  
A1LYA C15 H13 SING N N 63  
A1LYA C15 H14 SING N N 64  
A1LYA C1  H15 SING N N 65  
A1LYA C1  H16 SING N N 66  
A1LYA C2  H17 SING N N 67  
A1LYA C22 H18 SING N N 68  
A1LYA C22 H19 SING N N 69  
A1LYA C23 H20 SING N N 70  
A1LYA C23 H21 SING N N 71  
A1LYA C24 H22 SING N N 72  
A1LYA C24 H23 SING N N 73  
A1LYA C25 H24 SING N N 74  
A1LYA C25 H25 SING N N 75  
A1LYA C26 H26 SING N N 76  
A1LYA C26 H27 SING N N 77  
A1LYA C27 H28 SING N N 78  
A1LYA C27 H29 SING N N 79  
A1LYA C28 H30 SING N N 80  
A1LYA C28 H31 SING N N 81  
A1LYA C29 H32 SING N N 82  
A1LYA C29 H33 SING N N 83  
A1LYA C2A H34 SING N N 84  
A1LYA C2A H35 SING N N 85  
A1LYA C2B H36 SING N N 86  
A1LYA C2B H37 SING N N 87  
A1LYA C2C H38 SING N N 88  
A1LYA C2C H39 SING N N 89  
A1LYA C2D H40 SING N N 90  
A1LYA C2D H41 SING N N 91  
A1LYA C2E H42 SING N N 92  
A1LYA C2E H43 SING N N 93  
A1LYA C2F H44 SING N N 94  
A1LYA C2F H45 SING N N 95  
A1LYA C2G H46 SING N N 96  
A1LYA C2G H47 SING N N 97  
A1LYA C2H H48 SING N N 98  
A1LYA C2H H49 SING N N 99  
A1LYA C2I H50 SING N N 100 
A1LYA C2I H51 SING N N 101 
A1LYA C2I H52 SING N N 102 
A1LYA C3  H53 SING N N 103 
A1LYA C3  H54 SING N N 104 
A1LYA C32 H55 SING N N 105 
A1LYA C32 H56 SING N N 106 
A1LYA C33 H57 SING N N 107 
A1LYA C33 H58 SING N N 108 
A1LYA C34 H59 SING N N 109 
A1LYA C34 H60 SING N N 110 
A1LYA C35 H61 SING N N 111 
A1LYA C35 H62 SING N N 112 
A1LYA C36 H63 SING N N 113 
A1LYA C36 H64 SING N N 114 
A1LYA C37 H65 SING N N 115 
A1LYA C37 H66 SING N N 116 
A1LYA C38 H67 SING N N 117 
A1LYA C38 H68 SING N N 118 
A1LYA C39 H69 SING N N 119 
A1LYA C3A H70 SING N N 120 
A1LYA C3B H71 SING N N 121 
A1LYA C3B H72 SING N N 122 
A1LYA C3C H73 SING N N 123 
A1LYA C3C H74 SING N N 124 
A1LYA C3D H75 SING N N 125 
A1LYA C3D H76 SING N N 126 
A1LYA C3E H77 SING N N 127 
A1LYA C3E H78 SING N N 128 
A1LYA C3F H79 SING N N 129 
A1LYA C3F H80 SING N N 130 
A1LYA C3G H81 SING N N 131 
A1LYA C3G H82 SING N N 132 
A1LYA C3G H83 SING N N 133 
# 
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 
A1LYA InChI            InChI                1.06  "InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h17,19,40H,6-16,18,20-39H2,1-5H3/b19-17+/t40-/m1/s1" 
A1LYA InChIKey         InChI                1.06  LJUDFFWSOQEQKW-NTUCYIKDSA-N                                                                                                                                                                                                   
A1LYA SMILES_CANONICAL CACTVS               3.385 "CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C\CCCCCC)CO[P]([O-])(=O)OCC[N+](C)(C)C"                                                                                                                                        
A1LYA SMILES           CACTVS               3.385 "CCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC=CCCCCCC)CO[P]([O-])(=O)OCC[N+](C)(C)C"                                                                                                                                           
A1LYA SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C/CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C"                                                                                                                                          
A1LYA SMILES           "OpenEye OEToolkits" 2.0.7 "CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C"                                                                                                                                                
# 
_pdbx_chem_comp_identifier.comp_id           A1LYA 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   2.0.7 
_pdbx_chem_comp_identifier.identifier        "[(2~{R})-3-[(~{E})-hexadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl 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 
A1LYA "Create component" 2024-02-15 PDBJ 
A1LYA "Initial release"  2024-02-28 RCSB 
# 
