data_X81
# 
_chem_comp.id                                    X81 
_chem_comp.name                                  1-STEAROYL-2-OLEOYL-SN-GLYCERO-3-PHOSPHATE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C39 H74 O8 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    -1 
_chem_comp.pdbx_initial_date                     2004-08-02 
_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                        701.974 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     X81 
_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        1U51 
_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 
X81 O1  O1  O -1 1 N N N 12.498 30.178 10.436 -1.197  -6.288 -2.558 O1  X81 1   
X81 O2  O2  O 0  1 N N N 11.100 29.244 11.956 0.862   -7.118 -1.359 O2  X81 2   
X81 P1  P1  P 0  1 N N N 12.112 28.703 10.862 0.111   -5.862 -1.856 P1  X81 3   
X81 O3  O3  O 0  1 N N N 13.352 27.876 11.442 1.041   -5.057 -2.895 O3  X81 4   
X81 O4  O4  O 0  1 N N N 11.517 27.843 9.650  -0.237  -4.914 -0.601 O4  X81 5   
X81 C1  C1  C 0  1 N N N 12.226 27.744 8.421  -1.153  -5.638 0.222  C1  X81 6   
X81 C2  C2  C 0  1 N N R 12.380 26.281 7.982  -1.527  -4.789 1.438  C2  X81 7   
X81 C3  C3  C 0  1 N N N 13.494 25.428 8.600  -0.254  -4.362 2.172  C3  X81 8   
X81 O5  O5  O 0  1 N N N 14.478 25.164 7.630  0.636   -3.686 1.245  O5  X81 9   
X81 C4  C4  C 0  1 N N N 15.101 23.994 7.390  1.821   -3.221 1.671  C4  X81 10  
X81 O6  O6  O 0  1 N N N 15.896 23.903 6.480  2.147   -3.365 2.825  O6  X81 11  
X81 C5  C5  C 0  1 N N N 14.753 22.858 8.334  2.744   -2.519 0.708  C5  X81 12  
X81 C6  C6  C 0  1 N N N 15.695 21.647 8.227  4.017   -2.092 1.442  C6  X81 13  
X81 C7  C7  C 0  1 N N N 14.953 20.326 7.969  4.954   -1.379 0.465  C7  X81 14  
X81 C8  C8  C 0  1 N N N 13.943 20.403 6.811  6.227   -0.952 1.199  C8  X81 15  
X81 C9  C9  C 0  1 N N N 14.561 20.784 5.455  7.165   -0.240 0.223  C9  X81 16  
X81 C10 C10 C 0  1 N N N 13.469 21.154 4.439  8.438   0.187  0.956  C10 X81 17  
X81 C11 C11 C 0  1 N N N 12.097 20.512 4.702  9.375   0.900  -0.020 C11 X81 18  
X81 C12 C12 C 0  1 N N N 10.914 21.369 4.312  10.648  1.326  0.714  C12 X81 19  
X81 C13 C13 C 0  1 N N N 10.617 21.737 3.052  11.585  2.039  -0.263 C13 X81 20  
X81 C14 C14 C 0  1 N N N 11.435 21.381 1.830  12.858  2.466  0.471  C14 X81 21  
X81 C15 C15 C 0  1 N N N 10.971 20.079 1.160  13.795  3.178  -0.506 C15 X81 22  
X81 C16 C16 C 0  1 N N N 9.843  20.344 0.148  15.068  3.605  0.228  C16 X81 23  
X81 C17 C17 C 0  1 N N N 8.572  20.885 0.828  16.006  4.318  -0.749 C17 X81 24  
X81 C18 C18 C 0  1 N N N 8.351  22.393 0.608  17.278  4.745  -0.015 C18 X81 25  
X81 C19 C19 C 0  1 N N N 6.986  22.928 1.079  18.216  5.457  -0.992 C19 X81 26  
X81 C20 C20 C 0  1 N N N 5.836  21.916 0.986  19.489  5.884  -0.258 C20 X81 27  
X81 C21 C21 C 0  1 N N N 5.774  21.005 2.221  20.426  6.597  -1.235 C21 X81 28  
X81 O7  O7  O 0  1 N N N 11.138 25.603 7.899  -2.252  -3.609 1.001  O7  X81 29  
X81 C22 C22 C 0  1 N N N 10.029 25.814 7.161  -3.590  -3.644 0.897  C22 X81 30  
X81 O8  O8  O 0  1 N N N 9.077  25.076 7.266  -4.190  -4.658 1.166  O8  X81 31  
X81 C23 C23 C 0  1 N N N 10.002 26.989 6.202  -4.342  -2.420 0.443  C23 X81 32  
X81 C24 C24 C 0  1 N N N 9.034  28.105 6.622  -5.841  -2.726 0.410  C24 X81 33  
X81 C25 C25 C 0  1 N N N 8.163  28.649 5.479  -6.605  -1.483 -0.050 C25 X81 34  
X81 C26 C26 C 0  1 N N N 8.332  30.164 5.254  -8.104  -1.789 -0.083 C26 X81 35  
X81 C27 C27 C 0  1 N N N 9.786  30.588 4.989  -8.868  -0.546 -0.544 C27 X81 36  
X81 C28 C28 C 0  1 N N N 10.530 29.595 4.082  -10.367 -0.852 -0.576 C28 X81 37  
X81 C29 C29 C 0  1 N N N 12.016 29.945 3.892  -11.131 0.391  -1.037 C29 X81 38  
X81 C30 C30 C 0  1 N N N 12.882 29.877 5.162  -12.607 0.090  -1.069 C30 X81 39  
X81 C31 C31 C 0  1 N N N 13.706 28.590 5.341  -13.450 0.875  -0.445 C31 X81 40  
X81 C32 C32 C 0  1 N N N 14.695 28.336 4.194  -12.968 2.169  0.159  C32 X81 41  
X81 C33 C33 C 0  1 N N N 15.209 29.615 3.510  -13.823 3.325  -0.362 C33 X81 42  
X81 C34 C34 C 0  1 N N N 16.390 29.377 2.557  -13.333 4.639  0.252  C34 X81 43  
X81 C35 C35 C 0  1 N N N 17.744 29.698 3.208  -14.188 5.795  -0.270 C35 X81 44  
X81 C36 C36 C 0  1 N N N 18.392 30.948 2.591  -13.699 7.108  0.344  C36 X81 45  
X81 C37 C37 C 0  1 N N N 17.486 32.183 2.716  -14.554 8.265  -0.177 C37 X81 46  
X81 C38 C38 C 0  1 N N N 17.980 33.400 1.917  -14.064 9.578  0.437  C38 X81 47  
X81 C39 C39 C 0  1 N N N 19.502 33.428 1.718  -14.919 10.735 -0.085 C39 X81 48  
X81 H1  H1  H 0  1 N N N 13.931 28.514 11.904 1.225   -5.659 -3.629 H1  X81 49  
X81 H2  H2  H 0  1 N N N 11.690 28.349 7.661  -0.688  -6.566 0.555  H2  X81 50  
X81 H3  H3  H 0  1 N N N 13.209 28.243 8.544  -2.052  -5.868 -0.351 H3  X81 51  
X81 H4  H4  H 0  1 N N N 12.683 26.357 6.927  -2.155  -5.373 2.110  H4  X81 52  
X81 H5  H5  H 0  1 N N N 13.115 24.462 8.995  0.245   -5.243 2.577  H5  X81 53  
X81 H6  H6  H 0  1 N N N 13.975 25.925 9.468  -0.513  -3.685 2.986  H6  X81 54  
X81 H7  H7  H 0  1 N N N 14.750 23.241 9.376  2.246   -1.638 0.303  H7  X81 55  
X81 H8  H8  H 0  1 N N N 13.707 22.537 8.145  3.004   -3.196 -0.105 H8  X81 56  
X81 H9  H9  H 0  1 N N N 16.297 21.560 9.156  3.757   -1.415 2.256  H9  X81 57  
X81 H10 H10 H 0  1 N N N 16.436 21.821 7.420  4.516   -2.973 1.847  H10 X81 58  
X81 H11 H11 H 0  1 N N N 15.690 19.520 7.764  4.456   -0.499 0.060  H11 X81 59  
X81 H12 H12 H 0  1 N N N 14.430 20.007 8.895  5.214   -2.056 -0.348 H12 X81 60  
X81 H13 H13 H 0  1 N N N 13.146 21.133 7.068  6.726   -1.833 1.604  H13 X81 61  
X81 H14 H14 H 0  1 N N N 13.421 19.428 6.716  5.968   -0.275 2.013  H14 X81 62  
X81 H15 H15 H 0  1 N N N 15.269 21.631 5.580  6.666   0.641  -0.182 H15 X81 63  
X81 H16 H16 H 0  1 N N N 15.180 19.949 5.067  7.424   -0.917 -0.591 H16 X81 64  
X81 H17 H17 H 0  1 N N N 13.810 20.878 3.420  8.936   -0.694 1.361  H17 X81 65  
X81 H18 H18 H 0  1 N N N 13.354 22.258 4.415  8.178   0.864  1.770  H18 X81 66  
X81 H19 H19 H 0  1 N N N 12.029 19.544 4.162  8.876   1.780  -0.425 H19 X81 67  
X81 H20 H20 H 0  1 N N N 12.008 20.249 5.776  9.635   0.223  -0.834 H20 X81 68  
X81 H54 H54 H 0  1 N N N 10.005 20.872 4.726  10.388  2.003  1.527  H54 X81 69  
X81 H21 H21 H 0  1 N N N 10.185 21.773 5.030  11.146  0.446  1.119  H21 X81 70  
X81 H56 H56 H 0  1 N N N 9.575  21.391 2.853  11.845  1.362  -1.077 H56 X81 71  
X81 H22 H22 H 0  1 N N N 9.694  22.336 3.017  11.087  2.920  -0.668 H22 X81 72  
X81 H23 H23 H 0  1 N N N 12.504 21.301 2.116  13.356  1.585  0.876  H23 X81 73  
X81 H24 H24 H 0  1 N N N 11.391 22.219 1.104  12.598  3.143  1.284  H24 X81 74  
X81 H25 H25 H 0  1 N N N 11.828 19.584 0.656  13.297  4.059  -0.911 H25 X81 75  
X81 H26 H26 H 0  1 N N N 10.632 19.354 1.930  14.055  2.501  -1.320 H26 X81 76  
X81 H27 H27 H 0  1 N N N 9.606  19.414 -0.407 15.567  2.725  0.633  H27 X81 77  
X81 H28 H28 H 0  1 N N N 10.191 21.060 -0.624 14.809  4.282  1.042  H28 X81 78  
X81 H29 H29 H 0  1 N N N 7.689  20.324 0.461  15.507  5.198  -1.154 H29 X81 79  
X81 H30 H30 H 0  1 N N N 8.617  20.672 1.916  16.265  3.641  -1.563 H30 X81 80  
X81 H31 H31 H 0  1 N N N 8.478  22.625 -0.471 17.777  3.864  0.390  H31 X81 81  
X81 H32 H32 H 0  1 N N N 9.158  22.957 1.120  17.019  5.422  0.799  H32 X81 82  
X81 H33 H33 H 0  1 N N N 7.074  23.284 2.126  17.717  6.338  -1.397 H33 X81 83  
X81 H34 H34 H 0  1 N N N 6.724  23.831 0.489  18.475  4.780  -1.806 H34 X81 84  
X81 H35 H35 H 0  1 N N N 5.944  21.301 0.068  19.987  5.003  0.147  H35 X81 85  
X81 H36 H36 H 0  1 N N N 4.870  22.449 0.861  19.229  6.561  0.556  H36 X81 86  
X81 H37 H37 H 0  1 N N N 5.167  20.103 1.997  21.333  6.901  -0.712 H37 X81 87  
X81 H38 H38 H 0  1 N N N 5.311  21.549 3.070  20.686  5.920  -2.049 H38 X81 88  
X81 H39 H39 H 0  1 N N N 6.797  20.689 2.512  19.928  7.477  -1.640 H39 X81 89  
X81 H40 H40 H 0  1 N N N 11.028 27.400 6.100  -4.154  -1.600 1.136  H40 X81 90  
X81 H41 H41 H 0  1 N N N 9.739  26.624 5.187  -4.008  -2.137 -0.555 H41 X81 91  
X81 H42 H42 H 0  1 N N N 9.609  28.941 7.074  -6.030  -3.546 -0.283 H42 X81 92  
X81 H43 H43 H 0  1 N N N 8.378  27.734 7.438  -6.176  -3.009 1.408  H43 X81 93  
X81 H44 H44 H 0  1 N N N 8.399  28.103 4.542  -6.417  -0.663 0.643  H44 X81 94  
X81 H45 H45 H 0  1 N N N 7.096  28.419 5.684  -6.270  -1.200 -1.048 H45 X81 95  
X81 H46 H46 H 0  1 N N N 7.941  30.715 6.134  -8.293  -2.609 -0.776 H46 X81 96  
X81 H47 H47 H 0  1 N N N 7.692  30.485 4.406  -8.439  -2.072 0.915  H47 X81 97  
X81 H48 H48 H 0  1 N N N 9.805  31.599 4.533  -8.680  0.274  0.149  H48 X81 98  
X81 H49 H49 H 0  1 N N N 10.327 30.696 5.952  -8.533  -0.263 -1.541 H49 X81 99  
X81 H50 H50 H 0  1 N N N 10.029 29.547 3.093  -10.556 -1.672 -1.269 H50 X81 100 
X81 H51 H51 H 0  1 N N N 10.438 28.570 4.501  -10.702 -1.135 0.422  H51 X81 101 
X81 H52 H52 H 0  1 N N N 12.449 29.271 3.123  -10.943 1.211  -0.344 H52 X81 102 
X81 H53 H53 H 0  1 N N N 12.093 30.963 3.457  -10.796 0.674  -2.035 H53 X81 103 
X81 H55 H55 H 0  1 N N N 13.569 30.748 5.176  -12.971 -0.774 -1.606 H55 X81 104 
X81 H57 H57 H 0  1 N N N 13.023 27.720 5.439  -14.490 0.596  -0.364 H57 X81 105 
X81 H58 H58 H 0  1 N N N 14.218 27.679 3.437  -13.052 2.116  1.245  H58 X81 106 
X81 H59 H59 H 0  1 N N N 15.558 27.750 4.578  -11.926 2.333  -0.117 H59 X81 107 
X81 H60 H60 H 0  1 N N N 14.378 30.097 2.955  -13.739 3.378  -1.448 H60 X81 108 
X81 H61 H61 H 0  1 N N N 15.504 30.354 4.284  -14.864 3.161  -0.086 H61 X81 109 
X81 H62 H62 H 0  1 N N N 16.260 29.987 1.639  -13.417 4.586  1.337  H62 X81 110 
X81 H63 H63 H 0  1 N N N 16.383 28.323 2.206  -12.292 4.803  -0.025 H63 X81 111 
X81 H64 H64 H 0  1 N N N 17.614 29.841 4.302  -14.104 5.848  -1.355 H64 X81 112 
X81 H65 H65 H 0  1 N N N 18.427 28.829 3.111  -15.230 5.631  0.007  H65 X81 113 
X81 H66 H66 H 0  1 N N N 18.634 30.762 1.523  -13.782 7.055  1.430  H66 X81 114 
X81 H67 H67 H 0  1 N N N 19.372 31.147 3.076  -12.657 7.273  0.068  H67 X81 115 
X81 H68 H68 H 0  1 N N N 16.457 31.920 2.392  -14.470 8.318  -1.263 H68 X81 116 
X81 H69 H69 H 0  1 N N N 17.387 32.460 3.787  -15.595 8.101  0.099  H69 X81 117 
X81 H70 H70 H 0  1 N N N 17.657 34.332 2.425  -14.148 9.525  1.522  H70 X81 118 
X81 H71 H71 H 0  1 N N N 17.479 33.424 0.928  -13.023 9.743  0.160  H71 X81 119 
X81 H72 H72 H 0  1 N N N 19.853 32.447 1.340  -15.960 10.571 0.191  H72 X81 120 
X81 H73 H73 H 0  1 N N N 20.007 33.642 2.684  -14.570 11.671 0.352  H73 X81 121 
X81 H74 H74 H 0  1 N N N 19.776 34.217 0.987  -14.835 10.788 -1.171 H74 X81 122 
# 
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 
X81 O1  P1  SING N N 1   
X81 O2  P1  DOUB N N 2   
X81 P1  O3  SING N N 3   
X81 P1  O4  SING N N 4   
X81 O3  H1  SING N N 5   
X81 O4  C1  SING N N 6   
X81 C1  C2  SING N N 7   
X81 C1  H2  SING N N 8   
X81 C1  H3  SING N N 9   
X81 C2  C3  SING N N 10  
X81 C2  O7  SING N N 11  
X81 C2  H4  SING N N 12  
X81 C3  O5  SING N N 13  
X81 C3  H5  SING N N 14  
X81 C3  H6  SING N N 15  
X81 O5  C4  SING N N 16  
X81 C4  O6  DOUB N N 17  
X81 C4  C5  SING N N 18  
X81 C5  C6  SING N N 19  
X81 C5  H7  SING N N 20  
X81 C5  H8  SING N N 21  
X81 C6  C7  SING N N 22  
X81 C6  H9  SING N N 23  
X81 C6  H10 SING N N 24  
X81 C7  C8  SING N N 25  
X81 C7  H11 SING N N 26  
X81 C7  H12 SING N N 27  
X81 C8  C9  SING N N 28  
X81 C8  H13 SING N N 29  
X81 C8  H14 SING N N 30  
X81 C9  C10 SING N N 31  
X81 C9  H15 SING N N 32  
X81 C9  H16 SING N N 33  
X81 C10 C11 SING N N 34  
X81 C10 H17 SING N N 35  
X81 C10 H18 SING N N 36  
X81 C11 C12 SING N N 37  
X81 C11 H19 SING N N 38  
X81 C11 H20 SING N N 39  
X81 C12 C13 SING N N 40  
X81 C12 H54 SING N N 41  
X81 C12 H21 SING N N 42  
X81 C13 C14 SING N N 43  
X81 C13 H56 SING N N 44  
X81 C13 H22 SING N N 45  
X81 C14 C15 SING N N 46  
X81 C14 H23 SING N N 47  
X81 C14 H24 SING N N 48  
X81 C15 C16 SING N N 49  
X81 C15 H25 SING N N 50  
X81 C15 H26 SING N N 51  
X81 C16 C17 SING N N 52  
X81 C16 H27 SING N N 53  
X81 C16 H28 SING N N 54  
X81 C17 C18 SING N N 55  
X81 C17 H29 SING N N 56  
X81 C17 H30 SING N N 57  
X81 C18 C19 SING N N 58  
X81 C18 H31 SING N N 59  
X81 C18 H32 SING N N 60  
X81 C19 C20 SING N N 61  
X81 C19 H33 SING N N 62  
X81 C19 H34 SING N N 63  
X81 C20 C21 SING N N 64  
X81 C20 H35 SING N N 65  
X81 C20 H36 SING N N 66  
X81 C21 H37 SING N N 67  
X81 C21 H38 SING N N 68  
X81 C21 H39 SING N N 69  
X81 O7  C22 SING N N 70  
X81 C22 O8  DOUB N N 71  
X81 C22 C23 SING N N 72  
X81 C23 C24 SING N N 73  
X81 C23 H40 SING N N 74  
X81 C23 H41 SING N N 75  
X81 C24 C25 SING N N 76  
X81 C24 H42 SING N N 77  
X81 C24 H43 SING N N 78  
X81 C25 C26 SING N N 79  
X81 C25 H44 SING N N 80  
X81 C25 H45 SING N N 81  
X81 C26 C27 SING N N 82  
X81 C26 H46 SING N N 83  
X81 C26 H47 SING N N 84  
X81 C27 C28 SING N N 85  
X81 C27 H48 SING N N 86  
X81 C27 H49 SING N N 87  
X81 C28 C29 SING N N 88  
X81 C28 H50 SING N N 89  
X81 C28 H51 SING N N 90  
X81 C29 C30 SING N N 91  
X81 C29 H52 SING N N 92  
X81 C29 H53 SING N N 93  
X81 C30 C31 DOUB N Z 94  
X81 C30 H55 SING N N 95  
X81 C31 C32 SING N N 96  
X81 C31 H57 SING N N 97  
X81 C32 C33 SING N N 98  
X81 C32 H58 SING N N 99  
X81 C32 H59 SING N N 100 
X81 C33 C34 SING N N 101 
X81 C33 H60 SING N N 102 
X81 C33 H61 SING N N 103 
X81 C34 C35 SING N N 104 
X81 C34 H62 SING N N 105 
X81 C34 H63 SING N N 106 
X81 C35 C36 SING N N 107 
X81 C35 H64 SING N N 108 
X81 C35 H65 SING N N 109 
X81 C36 C37 SING N N 110 
X81 C36 H66 SING N N 111 
X81 C36 H67 SING N N 112 
X81 C37 C38 SING N N 113 
X81 C37 H68 SING N N 114 
X81 C37 H69 SING N N 115 
X81 C38 C39 SING N N 116 
X81 C38 H70 SING N N 117 
X81 C38 H71 SING N N 118 
X81 C39 H72 SING N N 119 
X81 C39 H73 SING N N 120 
X81 C39 H74 SING N N 121 
# 
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 
X81 SMILES           ACDLabs              10.04 O=P([O-])(O)OCC(OC(=O)CCCCCCC/C=C/CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC 
X81 InChI            InChI                1.02b 
InChI=1/C39H75O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,37H,3-17,19,21-36H2,1-2H3,(H2,42,43,44)/p-1/t37-/m1/s1/fC39H74O8P/h42H/q-1 
X81 InChIKey         InChI                1.02b HHMKVXGZZUOMHM-RGNFXHIJDN 
X81 SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)([O-])=O)OC(=O)CCCCCCC\C=C\CCCCCCCC 
X81 SMILES           CACTVS               3.341 CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)([O-])=O)OC(=O)CCCCCCCC=CCCCCCCCC 
X81 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCC=CCCCCCCCC 
X81 SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCC=CCCCCCCCC 
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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 
X81 "SYSTEMATIC NAME" ACDLabs              10.04 "(2R)-3-(octadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl hydrogen phosphate" 
X81 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R)-3-octadecanoyloxy-2-octadec-9-enoyloxy-propyl] hydrogen phosphate"       
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