data_PX8
# 
_chem_comp.id                                    PX8 
_chem_comp.name                                  1,2-DISTEAROYL-SN-GLYCERO-3-PHOSPHATE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C39 H76 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                        703.990 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     PX8 
_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        1U4Z 
_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 
PX8 O1  O1  O -1 1 N N N 10.169 28.300 9.122  0.740   -5.318 2.975  O1  PX8 1   
PX8 O2  O2  O 0  1 N N N 11.730 27.514 10.893 -1.356  -6.386 2.063  O2  PX8 2   
PX8 P1  P1  P 0  1 N N N 11.609 28.357 9.626  -0.624  -5.047 2.302  P1  PX8 3   
PX8 O3  O3  O 0  1 N N N 11.976 29.810 9.951  -1.518  -4.110 3.260  O3  PX8 4   
PX8 O4  O4  O 0  1 N N N 12.564 27.812 8.550  -0.389  -4.304 0.893  O4  PX8 5   
PX8 C1  C1  C 0  1 N N N 12.507 26.360 8.495  0.503   -5.126 0.137  C1  PX8 6   
PX8 C2  C2  C 0  1 N N R 12.193 25.913 7.061  0.769   -4.474 -1.221 C2  PX8 7   
PX8 C3  C3  C 0  1 N N N 13.413 25.284 6.381  -0.561  -4.206 -1.928 C3  PX8 8   
PX8 O5  O5  O 0  1 N N N 13.704 24.032 7.046  -1.417  -3.414 -1.064 O5  PX8 9   
PX8 C4  C4  C 0  1 N N N 15.129 23.812 7.246  -2.643  -3.056 -1.478 C4  PX8 10  
PX8 O6  O6  O 0  1 N N N 15.707 24.181 8.286  -3.033  -3.393 -2.571 O6  PX8 11  
PX8 C5  C5  C 0  1 N N N 15.855 23.111 6.092  -3.531  -2.233 -0.581 C5  PX8 12  
PX8 C6  C6  C 0  1 N N N 15.195 21.823 5.593  -4.862  -1.965 -1.288 C6  PX8 13  
PX8 C7  C7  C 0  1 N N N 14.003 22.104 4.688  -5.764  -1.131 -0.377 C7  PX8 14  
PX8 C8  C8  C 0  1 N N N 12.711 21.641 5.305  -7.094  -0.862 -1.084 C8  PX8 15  
PX8 C9  C9  C 0  1 N N N 12.696 20.136 5.470  -7.997  -0.028 -0.173 C9  PX8 16  
PX8 C10 C10 C 0  1 N N N 13.004 19.440 4.154  -9.327  0.240  -0.880 C10 PX8 17  
PX8 C11 C11 C 0  1 N N N 11.998 19.815 3.070  -10.229 1.075  0.031  C11 PX8 18  
PX8 C12 C12 C 0  1 N N N 12.685 20.106 1.743  -11.559 1.343  -0.676 C12 PX8 19  
PX8 C13 C13 C 0  1 N N N 12.003 21.238 1.010  -12.462 2.178  0.235  C13 PX8 20  
PX8 C14 C14 C 0  1 N N N 10.812 20.737 0.220  -13.792 2.446  -0.472 C14 PX8 21  
PX8 C15 C15 C 0  1 N N N 9.562  20.768 1.061  -14.694 3.281  0.439  C15 PX8 22  
PX8 C16 C16 C 0  1 N N N 8.357  21.199 0.249  -16.024 3.549  -0.267 C16 PX8 23  
PX8 C17 C17 C 0  1 N N N 7.071  20.665 0.863  -16.927 4.384  0.643  C17 PX8 24  
PX8 C18 C18 C 0  1 N N N 5.935  21.663 0.732  -18.257 4.652  -0.063 C18 PX8 25  
PX8 C19 C19 C 0  1 N N N 5.691  22.395 2.033  -19.159 5.487  0.848  C19 PX8 26  
PX8 C20 C20 C 0  1 N N N 7.002  22.777 2.709  -20.490 5.755  0.141  C20 PX8 27  
PX8 C21 C21 C 0  1 N N N 6.870  23.869 3.757  -21.392 6.590  1.052  C21 PX8 28  
PX8 O7  O7  O 0  1 N N N 10.995 25.054 7.057  1.475   -3.220 -1.026 O7  PX8 29  
PX8 C22 C22 C 0  1 N N N 9.763  25.530 6.382  2.817   -3.201 -1.006 C22 PX8 30  
PX8 O8  O8  O 0  1 N N N 8.728  24.831 6.345  3.438   -4.228 -1.150 O8  PX8 31  
PX8 C23 C23 C 0  1 N N N 9.784  26.921 5.762  3.550   -1.900 -0.803 C23 PX8 32  
PX8 C24 C24 C 0  1 N N N 8.421  27.621 5.827  5.058   -2.156 -0.821 C24 PX8 33  
PX8 C25 C25 C 0  1 N N N 8.548  29.144 5.733  5.802   -0.834 -0.616 C25 PX8 34  
PX8 C26 C26 C 0  1 N N N 7.738  29.717 4.573  7.310   -1.090 -0.634 C26 PX8 35  
PX8 C27 C27 C 0  1 N N N 8.591  30.600 3.662  8.054   0.231  -0.428 C27 PX8 36  
PX8 C28 C28 C 0  1 N N N 8.314  32.077 3.900  9.562   -0.024 -0.446 C28 PX8 37  
PX8 C29 C29 C 0  1 N N N 8.057  32.801 2.600  10.306  1.297  -0.240 C29 PX8 38  
PX8 C30 C30 C 0  1 N N N 9.345  33.031 1.840  11.814  1.042  -0.259 C30 PX8 39  
PX8 C31 C31 C 0  1 N N N 10.505 33.301 2.785  12.558  2.363  -0.053 C31 PX8 40  
PX8 C32 C32 C 0  1 N N N 11.685 33.924 2.062  14.066  2.107  -0.071 C32 PX8 41  
PX8 C33 C33 C 0  1 N N N 12.304 35.049 2.868  14.810  3.428  0.135  C33 PX8 42  
PX8 C34 C34 C 0  1 N N N 11.289 36.143 3.156  16.318  3.173  0.116  C34 PX8 43  
PX8 C35 C35 C 0  1 N N N 10.729 36.726 1.863  17.062  4.494  0.322  C35 PX8 44  
PX8 C36 C36 C 0  1 N N N 11.779 37.540 1.114  18.570  4.239  0.304  C36 PX8 45  
PX8 C37 C37 C 0  1 N N N 11.472 39.034 1.156  19.314  5.560  0.510  C37 PX8 46  
PX8 C38 C38 C 0  1 N N N 11.794 39.637 2.522  20.822  5.304  0.492  C38 PX8 47  
PX8 C39 C39 C 0  1 N N N 10.568 40.009 3.340  21.566  6.626  0.697  C39 PX8 48  
PX8 H1  H1  H 0  1 N N N 12.793 30.155 9.283  -1.635  -4.591 4.091  H1  PX8 49  
PX8 H2  H2  H 0  1 N N N 13.469 25.937 8.853  0.053   -6.108 -0.013 H2  PX8 50  
PX8 H3  H3  H 0  1 N N N 11.746 25.991 9.213  1.443   -5.236 0.678  H3  PX8 51  
PX8 H4  H4  H 0  1 N N N 11.916 26.776 6.439  1.377   -5.142 -1.832 H4  PX8 52  
PX8 H5  H5  H 0  1 N N N 14.303 25.947 6.427  -1.050  -5.154 -2.154 H5  PX8 53  
PX8 H6  H6  H 0  1 N N N 13.242 25.103 5.300  -0.377  -3.662 -2.855 H6  PX8 54  
PX8 H7  H7  H 0  1 N N N 15.954 23.819 5.243  -3.043  -1.286 -0.355 H7  PX8 55  
PX8 H8  H8  H 0  1 N N N 16.897 22.885 6.402  -3.715  -2.777 0.345  H8  PX8 56  
PX8 H9  H9  H 0  1 N N N 14.875 21.204 6.454  -4.678  -1.421 -2.214 H9  PX8 57  
PX8 H10 H10 H 0  1 N N N 15.939 21.202 5.052  -5.350  -2.913 -1.514 H10 PX8 58  
PX8 H11 H11 H 0  1 N N N 13.942 23.186 4.460  -5.275  -0.183 -0.151 H11 PX8 59  
PX8 H12 H12 H 0  1 N N N 14.145 21.609 3.704  -5.948  -1.675 0.549  H12 PX8 60  
PX8 H13 H13 H 0  1 N N N 11.854 21.968 4.679  -7.583  -1.810 -1.310 H13 PX8 61  
PX8 H14 H14 H 0  1 N N N 12.559 22.137 6.285  -6.910  -0.318 -2.010 H14 PX8 62  
PX8 H15 H15 H 0  1 N N N 13.428 19.831 6.247  -7.508  0.920  0.053  H15 PX8 63  
PX8 H16 H16 H 0  1 N N N 11.710 19.804 5.860  -8.181  -0.572 0.754  H16 PX8 64  
PX8 H17 H17 H 0  1 N N N 13.014 18.341 4.302  -9.816  -0.707 -1.106 H17 PX8 65  
PX8 H18 H18 H 0  1 N N N 14.033 19.695 3.823  -9.143  0.784  -1.806 H18 PX8 66  
PX8 H19 H19 H 0  1 N N N 11.256 19.001 2.943  -9.740  2.023  0.257  H19 PX8 67  
PX8 H20 H20 H 0  1 N N N 11.405 20.697 3.391  -10.413 0.531  0.958  H20 PX8 68  
PX8 H21 H21 H 0  1 N N N 12.697 19.195 1.108  -12.048 0.396  -0.902 H21 PX8 69  
PX8 H22 H22 H 0  1 N N N 13.755 20.353 1.911  -11.375 1.887  -1.602 H22 PX8 70  
PX8 H23 H23 H 0  1 N N N 11.683 22.022 1.730  -11.973 3.126  0.461  H23 PX8 71  
PX8 H24 H24 H 0  1 N N N 12.723 21.747 0.335  -12.646 1.634  1.162  H24 PX8 72  
PX8 H25 H25 H 0  1 N N N 11.000 19.707 -0.147 -14.281 1.499  -0.698 H25 PX8 73  
PX8 H26 H26 H 0  1 N N N 10.673 21.349 -0.695 -13.608 2.990  -1.398 H26 PX8 74  
PX8 H27 H27 H 0  1 N N N 9.384  19.769 1.511  -14.205 4.229  0.665  H27 PX8 75  
PX8 H28 H28 H 0  1 N N N 9.706  21.449 1.926  -14.878 2.737  1.366  H28 PX8 76  
PX8 H29 H29 H 0  1 N N N 8.458  20.848 -0.798 -16.513 2.601  -0.494 H29 PX8 77  
PX8 H30 H30 H 0  1 N N N 8.320  22.306 0.180  -15.840 4.093  -1.194 H30 PX8 78  
PX8 H31 H31 H 0  1 N N N 6.790  19.706 0.384  -16.438 5.331  0.869  H31 PX8 79  
PX8 H32 H32 H 0  1 N N N 7.234  20.418 1.933  -17.111 3.840  1.570  H32 PX8 80  
PX8 H33 H33 H 0  1 N N N 5.008  21.144 0.407  -18.746 3.704  -0.289 H33 PX8 81  
PX8 H34 H34 H 0  1 N N N 6.155  22.390 -0.079 -18.073 5.196  -0.990 H34 PX8 82  
PX8 H35 H35 H 0  1 N N N 5.076  23.301 1.844  -18.671 6.434  1.074  H35 PX8 83  
PX8 H36 H36 H 0  1 N N N 5.076  21.766 2.710  -19.343 4.943  1.774  H36 PX8 84  
PX8 H37 H37 H 0  1 N N N 7.734  23.097 1.938  -20.978 4.807  -0.085 H37 PX8 85  
PX8 H38 H38 H 0  1 N N N 7.452  21.875 3.177  -20.306 6.299  -0.786 H38 PX8 86  
PX8 H39 H39 H 0  1 N N N 5.956  23.704 4.364  -20.903 7.537  1.278  H39 PX8 87  
PX8 H40 H40 H 0  1 N N N 6.801  24.861 3.264  -22.340 6.781  0.548  H40 PX8 88  
PX8 H41 H41 H 0  1 N N N 7.754  23.862 4.428  -21.576 6.046  1.978  H41 PX8 89  
PX8 H42 H42 H 0  1 N N N 10.550 27.541 6.272  3.289   -1.208 -1.604 H42 PX8 90  
PX8 H43 H43 H 0  1 N N N 10.121 26.853 4.708  3.266   -1.469 0.157  H43 PX8 91  
PX8 H44 H44 H 0  1 N N N 7.898  27.346 6.767  5.319   -2.848 -0.021 H44 PX8 92  
PX8 H45 H45 H 0  1 N N N 7.764  27.248 5.014  5.342   -2.587 -1.781 H45 PX8 93  
PX8 H46 H46 H 0  1 N N N 8.223  29.609 6.687  5.541   -0.142 -1.416 H46 PX8 94  
PX8 H47 H47 H 0  1 N N N 9.615  29.428 5.626  5.518   -0.403 0.345  H47 PX8 95  
PX8 H48 H48 H 0  1 N N N 6.878  30.300 4.964  7.571   -1.782 0.167  H48 PX8 96  
PX8 H49 H49 H 0  1 N N N 7.285  28.894 3.984  7.594   -1.521 -1.594 H49 PX8 97  
PX8 H50 H50 H 0  1 N N N 9.669  30.388 3.823  7.793   0.924  -1.228 H50 PX8 98  
PX8 H51 H51 H 0  1 N N N 8.406  30.346 2.599  7.770   0.662  0.532  H51 PX8 99  
PX8 H52 H52 H 0  1 N N N 9.165  32.548 4.435  9.823   -0.716 0.354  H52 PX8 100 
PX8 H53 H53 H 0  1 N N N 7.444  32.200 4.580  9.846   -0.455 -1.406 H53 PX8 101 
PX8 H54 H54 H 0  1 N N N 7.342  32.225 1.976  10.045  1.989  -1.041 H54 PX8 102 
PX8 H55 H55 H 0  1 N N N 7.552  33.769 2.797  10.022  1.728  0.720  H55 PX8 103 
PX8 H56 H56 H 0  1 N N N 9.222  33.880 1.134  12.075  0.349  0.542  H56 PX8 104 
PX8 H57 H57 H 0  1 N N N 9.570  32.154 1.198  12.098  0.611  -1.219 H57 PX8 105 
PX8 H58 H58 H 0  1 N N N 10.175 33.964 3.612  12.297  3.055  -0.853 H58 PX8 106 
PX8 H59 H59 H 0  1 N N N 10.818 32.358 3.281  12.274  2.794  0.907  H59 PX8 107 
PX8 H60 H60 H 0  1 N N N 11.366 34.298 1.067  14.327  1.415  0.729  H60 PX8 108 
PX8 H61 H61 H 0  1 N N N 12.448 33.147 1.845  14.350  1.676  -1.031 H61 PX8 109 
PX8 H62 H62 H 0  1 N N N 12.720 34.654 3.818  14.549  4.121  -0.666 H62 PX8 110 
PX8 H63 H63 H 0  1 N N N 13.176 35.472 2.327  14.526  3.860  1.095  H63 PX8 111 
PX8 H64 H64 H 0  1 N N N 11.756 36.943 3.767  16.579  2.481  0.917  H64 PX8 112 
PX8 H65 H65 H 0  1 N N N 10.466 35.743 3.784  16.602  2.742  -0.844 H65 PX8 113 
PX8 H66 H66 H 0  1 N N N 10.343 35.914 1.213  16.801  5.186  -0.478 H66 PX8 114 
PX8 H67 H67 H 0  1 N N N 9.845  37.361 2.085  16.778  4.925  1.282  H67 PX8 115 
PX8 H68 H68 H 0  1 N N N 11.845 37.194 0.062  18.831  3.546  1.105  H68 PX8 116 
PX8 H69 H69 H 0  1 N N N 12.784 37.348 1.544  18.854  3.808  -0.656 H69 PX8 117 
PX8 H70 H70 H 0  1 N N N 12.045 39.559 0.364  19.053  6.252  -0.291 H70 PX8 118 
PX8 H71 H71 H 0  1 N N N 10.407 39.209 0.903  19.030  5.991  1.470  H71 PX8 119 
PX8 H72 H72 H 0  1 N N N 12.429 40.538 2.387  21.083  4.612  1.292  H72 PX8 120 
PX8 H73 H73 H 0  1 N N N 12.418 38.926 3.101  21.106  4.873  -0.468 H73 PX8 121 
PX8 H74 H74 H 0  1 N N N 10.232 41.035 3.077  21.305  7.318  -0.103 H74 PX8 122 
PX8 H75 H75 H 0  1 N N N 10.809 39.977 4.423  21.282  7.057  1.657  H75 PX8 123 
PX8 H76 H76 H 0  1 N N N 9.742  39.298 3.135  22.640  6.444  0.684  H76 PX8 124 
# 
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 
PX8 O1  P1  SING N N 1   
PX8 O2  P1  DOUB N N 2   
PX8 P1  O3  SING N N 3   
PX8 P1  O4  SING N N 4   
PX8 O3  H1  SING N N 5   
PX8 O4  C1  SING N N 6   
PX8 C1  C2  SING N N 7   
PX8 C1  H2  SING N N 8   
PX8 C1  H3  SING N N 9   
PX8 C2  C3  SING N N 10  
PX8 C2  O7  SING N N 11  
PX8 C2  H4  SING N N 12  
PX8 C3  O5  SING N N 13  
PX8 C3  H5  SING N N 14  
PX8 C3  H6  SING N N 15  
PX8 O5  C4  SING N N 16  
PX8 C4  O6  DOUB N N 17  
PX8 C4  C5  SING N N 18  
PX8 C5  C6  SING N N 19  
PX8 C5  H7  SING N N 20  
PX8 C5  H8  SING N N 21  
PX8 C6  C7  SING N N 22  
PX8 C6  H9  SING N N 23  
PX8 C6  H10 SING N N 24  
PX8 C7  C8  SING N N 25  
PX8 C7  H11 SING N N 26  
PX8 C7  H12 SING N N 27  
PX8 C8  C9  SING N N 28  
PX8 C8  H13 SING N N 29  
PX8 C8  H14 SING N N 30  
PX8 C9  C10 SING N N 31  
PX8 C9  H15 SING N N 32  
PX8 C9  H16 SING N N 33  
PX8 C10 C11 SING N N 34  
PX8 C10 H17 SING N N 35  
PX8 C10 H18 SING N N 36  
PX8 C11 C12 SING N N 37  
PX8 C11 H19 SING N N 38  
PX8 C11 H20 SING N N 39  
PX8 C12 C13 SING N N 40  
PX8 C12 H21 SING N N 41  
PX8 C12 H22 SING N N 42  
PX8 C13 C14 SING N N 43  
PX8 C13 H23 SING N N 44  
PX8 C13 H24 SING N N 45  
PX8 C14 C15 SING N N 46  
PX8 C14 H25 SING N N 47  
PX8 C14 H26 SING N N 48  
PX8 C15 C16 SING N N 49  
PX8 C15 H27 SING N N 50  
PX8 C15 H28 SING N N 51  
PX8 C16 C17 SING N N 52  
PX8 C16 H29 SING N N 53  
PX8 C16 H30 SING N N 54  
PX8 C17 C18 SING N N 55  
PX8 C17 H31 SING N N 56  
PX8 C17 H32 SING N N 57  
PX8 C18 C19 SING N N 58  
PX8 C18 H33 SING N N 59  
PX8 C18 H34 SING N N 60  
PX8 C19 C20 SING N N 61  
PX8 C19 H35 SING N N 62  
PX8 C19 H36 SING N N 63  
PX8 C20 C21 SING N N 64  
PX8 C20 H37 SING N N 65  
PX8 C20 H38 SING N N 66  
PX8 C21 H39 SING N N 67  
PX8 C21 H40 SING N N 68  
PX8 C21 H41 SING N N 69  
PX8 O7  C22 SING N N 70  
PX8 C22 O8  DOUB N N 71  
PX8 C22 C23 SING N N 72  
PX8 C23 C24 SING N N 73  
PX8 C23 H42 SING N N 74  
PX8 C23 H43 SING N N 75  
PX8 C24 C25 SING N N 76  
PX8 C24 H44 SING N N 77  
PX8 C24 H45 SING N N 78  
PX8 C25 C26 SING N N 79  
PX8 C25 H46 SING N N 80  
PX8 C25 H47 SING N N 81  
PX8 C26 C27 SING N N 82  
PX8 C26 H48 SING N N 83  
PX8 C26 H49 SING N N 84  
PX8 C27 C28 SING N N 85  
PX8 C27 H50 SING N N 86  
PX8 C27 H51 SING N N 87  
PX8 C28 C29 SING N N 88  
PX8 C28 H52 SING N N 89  
PX8 C28 H53 SING N N 90  
PX8 C29 C30 SING N N 91  
PX8 C29 H54 SING N N 92  
PX8 C29 H55 SING N N 93  
PX8 C30 C31 SING N N 94  
PX8 C30 H56 SING N N 95  
PX8 C30 H57 SING N N 96  
PX8 C31 C32 SING N N 97  
PX8 C31 H58 SING N N 98  
PX8 C31 H59 SING N N 99  
PX8 C32 C33 SING N N 100 
PX8 C32 H60 SING N N 101 
PX8 C32 H61 SING N N 102 
PX8 C33 C34 SING N N 103 
PX8 C33 H62 SING N N 104 
PX8 C33 H63 SING N N 105 
PX8 C34 C35 SING N N 106 
PX8 C34 H64 SING N N 107 
PX8 C34 H65 SING N N 108 
PX8 C35 C36 SING N N 109 
PX8 C35 H66 SING N N 110 
PX8 C35 H67 SING N N 111 
PX8 C36 C37 SING N N 112 
PX8 C36 H68 SING N N 113 
PX8 C36 H69 SING N N 114 
PX8 C37 C38 SING N N 115 
PX8 C37 H70 SING N N 116 
PX8 C37 H71 SING N N 117 
PX8 C38 C39 SING N N 118 
PX8 C38 H72 SING N N 119 
PX8 C38 H73 SING N N 120 
PX8 C39 H74 SING N N 121 
PX8 C39 H75 SING N N 122 
PX8 C39 H76 SING N N 123 
# 
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 
PX8 SMILES           ACDLabs              10.04 O=P([O-])(O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC 
PX8 InChI            InChI                1.02b 
InChI=1/C39H77O8P/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/h37H,3-36H2,1-2H3,(H2,42,43,44)/p-1/t37-/m1/s1/fC39H76O8P/h42H/q-1 
PX8 InChIKey         InChI                1.02b YFWHNAWEOZTIPI-WMDHJEIEDJ 
PX8 SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)([O-])=O)OC(=O)CCCCCCCCCCCCCCCCC 
PX8 SMILES           CACTVS               3.341 CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)([O-])=O)OC(=O)CCCCCCCCCCCCCCCCC 
PX8 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCCCC 
PX8 SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCCCC 
# 
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 
PX8 "SYSTEMATIC NAME" ACDLabs              10.04 "(2R)-2,3-bis(octadecanoyloxy)propyl hydrogen phosphate"  
PX8 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R)-2,3-di(octadecanoyloxy)propyl] hydrogen phosphate" 
# 
