data_DPG
# 
_chem_comp.id                                    DPG 
_chem_comp.name                                  "PHOSPHORIC ACID 2,3-BIS-(3,7,11,15-TETRAMETHYL-HEXADECYLOXY)-PROPYL ESTER 2-HYDROXO-3-PHOSPHONOOXY-PROPYL ESTER" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C46 H96 O11 P2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         DPHPG 
_chem_comp.pdbx_formal_charge                    0 
_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                        887.195 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     DPG 
_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        2BRD 
_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 
DPG C1   C1   C 0 1 N N N 31.142 -26.374 24.654 -0.045 4.165  0.068   C1   DPG 1   
DPG C2   C2   C 0 1 N N R 31.778 -25.075 24.139 -0.714 3.854  -1.272  C2   DPG 2   
DPG C3   C3   C 0 1 N N N 33.159 -24.871 24.752 -2.153 3.394  -1.029  C3   DPG 3   
DPG C4   C4   C 0 1 N N N 37.741 -25.882 22.431 -5.136 0.143  1.063   C4   DPG 4   
DPG C5   C5   C 0 1 N N S 38.875 -26.383 23.424 -5.272 -1.112 1.926   C5   DPG 5   
DPG C6   C6   C 0 1 N N N 40.250 -26.330 22.698 -6.753 -1.461 2.089   C6   DPG 6   
DPG C11  C11  C 0 1 N N N 28.908 -27.241 24.272 0.594  3.343  2.112   C11  DPG 7   
DPG C12  C12  C 0 1 N N N 28.045 -26.007 24.548 0.633  2.123  3.034   C12  DPG 8   
DPG C13  C13  C 0 1 N N S 26.656 -26.138 23.969 1.312  2.501  4.352   C13  DPG 9   
DPG C14  C14  C 0 1 N N N 25.842 -26.760 25.061 0.524  3.625  5.028   C14  DPG 10  
DPG C15  C15  C 0 1 N N N 26.100 -24.800 23.568 1.351  1.280  5.274   C15  DPG 11  
DPG C16  C16  C 0 1 N N N 25.296 -24.686 22.256 2.030  1.659  6.592   C16  DPG 12  
DPG C17  C17  C 0 1 N N N 24.723 -23.317 21.832 2.070  0.438  7.514   C17  DPG 13  
DPG C18  C18  C 0 1 N N R 24.838 -22.750 20.376 2.748  0.816  8.832   C18  DPG 14  
DPG C19  C19  C 0 1 N N N 24.733 -21.225 20.333 4.176  1.291  8.553   C19  DPG 15  
DPG C20  C20  C 0 1 N N N 23.861 -23.348 19.345 2.788  -0.403 9.754   C20  DPG 16  
DPG C21  C21  C 0 1 N N N 24.434 -23.137 17.947 3.467  -0.025 11.072  C21  DPG 17  
DPG C22  C22  C 0 1 N N N 23.343 -23.136 16.839 3.506  -1.245 11.994  C22  DPG 18  
DPG C23  C23  C 0 1 N N S 23.349 -22.203 15.537 4.185  -0.867 13.312  C23  DPG 19  
DPG C24  C24  C 0 1 N N N 23.944 -20.833 15.902 3.397  0.256  13.987  C24  DPG 20  
DPG C25  C25  C 0 1 N N N 24.259 -22.747 14.379 4.224  -2.088 14.234  C25  DPG 21  
DPG C26  C26  C 0 1 N N N 23.972 -22.361 12.946 4.903  -1.710 15.552  C26  DPG 22  
DPG C27  C27  C 0 1 N N N 25.289 -22.216 12.260 4.942  -2.930 16.474  C27  DPG 23  
DPG C28  C28  C 0 1 N N N 25.154 -21.337 11.065 5.621  -2.552 17.792  C28  DPG 24  
DPG C29  C29  C 0 1 N N N 26.345 -21.568 10.156 5.661  -3.772 18.714  C29  DPG 25  
DPG C30  C30  C 0 1 N N N 24.981 -19.852 11.409 7.049  -2.077 17.512  C30  DPG 26  
DPG C41  C41  C 0 1 N N N 30.785 -22.974 23.455 -0.149 3.036  -3.340  C41  DPG 27  
DPG C42  C42  C 0 1 N N N 29.501 -22.210 23.883 0.607  1.955  -4.114  C42  DPG 28  
DPG C43  C43  C 0 1 N N S 29.253 -20.716 23.520 0.435  2.190  -5.616  C43  DPG 29  
DPG C44  C44  C 0 1 N N N 30.292 -19.888 24.352 0.993  3.566  -5.985  C44  DPG 30  
DPG C45  C45  C 0 1 N N N 29.234 -20.468 21.952 1.192  1.108  -6.391  C45  DPG 31  
DPG C46  C46  C 0 1 N N N 28.427 -19.275 21.305 1.020  1.343  -7.893  C46  DPG 32  
DPG C47  C47  C 0 1 N N N 27.908 -19.460 19.846 1.777  0.262  -8.667  C47  DPG 33  
DPG C48  C48  C 0 1 N N R 27.720 -18.212 18.949 1.605  0.496  -10.170 C48  DPG 34  
DPG C49  C49  C 0 1 N N N 26.542 -17.346 19.446 0.119  0.435  -10.529 C49  DPG 35  
DPG C50  C50  C 0 1 N N N 27.488 -18.667 17.508 2.362  -0.584 -10.944 C50  DPG 36  
DPG C51  C51  C 0 1 N N N 28.015 -17.700 16.442 2.190  -0.350 -12.446 C51  DPG 37  
DPG C52  C52  C 0 1 N N N 27.368 -17.881 15.070 2.947  -1.431 -13.221 C52  DPG 38  
DPG C53  C53  C 0 1 N N S 28.300 -17.676 13.791 2.775  -1.197 -14.723 C53  DPG 39  
DPG C54  C54  C 0 1 N N N 29.339 -18.825 13.468 3.333  0.178  -15.091 C54  DPG 40  
DPG C55  C55  C 0 1 N N N 27.425 -17.264 12.561 3.532  -2.278 -15.497 C55  DPG 41  
DPG C56  C56  C 0 1 N N N 27.843 -17.702 11.142 3.360  -2.044 -16.999 C56  DPG 42  
DPG C57  C57  C 0 1 N N N 27.490 -16.769 9.991  4.117  -3.125 -17.774 C57  DPG 43  
DPG C58  C58  C 0 1 N N N 27.231 -17.639 8.748  3.946  -2.890 -19.276 C58  DPG 44  
DPG C59  C59  C 0 1 N N N 26.276 -16.979 7.735  4.702  -3.971 -20.050 C59  DPG 45  
DPG C60  C60  C 0 1 N N N 28.465 -18.270 8.076  2.460  -2.951 -19.635 C60  DPG 46  
DPG O1   O1   O 0 1 N N N 30.172 -26.837 23.681 -0.039 2.990  0.881   O1   DPG 47  
DPG O2   O2   O 0 1 N N N 30.957 -23.964 24.492 0.010  2.817  -1.937  O2   DPG 48  
DPG O3   O3   O 0 1 N N N 34.152 -24.910 23.708 -2.147 2.219  -0.215  O3   DPG 49  
DPG O4   O4   O 0 1 N N N 34.752 -27.120 22.828 -4.309 1.519  -1.316  O4   DPG 50  
DPG O5   O5   O 0 1 N N N 35.638 -26.594 25.134 -4.477 2.990  0.728   O5   DPG 51  
DPG O6   O6   O 0 1 N N N 36.535 -25.280 23.033 -3.753 0.469  0.911   O6   DPG 52  
DPG O7   O7   O 0 1 N N N 38.701 -27.732 23.955 -4.694 -0.873 3.211   O7   DPG 53  
DPG O8   O8   O 0 1 N N N 41.332 -26.308 23.660 -6.880 -2.634 2.895   O8   DPG 54  
DPG O9   O9   O 0 1 N N N 41.714 -28.851 23.771 -9.027 -3.164 1.678   O9   DPG 55  
DPG O10  O10  O 0 1 N N N 42.907 -27.338 25.405 -8.672 -4.259 3.925   O10  DPG 56  
DPG O11  O11  O 0 1 N N N 40.486 -27.669 25.613 -9.190 -1.689 3.720   O11  DPG 57  
DPG P1   P1   P 0 1 N N R 35.274 -26.097 23.754 -3.685 1.793  -0.002  P1   DPG 58  
DPG P2   P2   P 0 1 N N N 41.628 -27.594 24.631 -8.455 -2.941 3.025   P2   DPG 59  
DPG H11  1H1  H 0 1 N N N 31.902 -27.151 24.901 -0.599 4.955  0.575   H11  DPG 60  
DPG H12  2H1  H 0 1 N N N 30.702 -26.258 25.672 0.979  4.492  -0.104  H12  DPG 61  
DPG H2   H2   H 0 1 N N N 31.872 -25.150 23.030 -0.719 4.750  -1.892  H2   DPG 62  
DPG H31  1H3  H 0 1 N N N 33.219 -23.937 25.358 -2.707 4.184  -0.522  H31  DPG 63  
DPG H32  2H3  H 0 1 N N N 33.372 -25.601 25.566 -2.630 3.172  -1.984  H32  DPG 64  
DPG H41  1H4  H 0 1 N N N 38.181 -25.171 21.693 -5.654 0.973  1.546   H41  DPG 65  
DPG H42  2H4  H 0 1 N N N 37.441 -26.719 21.758 -5.577 -0.038 0.083   H42  DPG 66  
DPG H5   H5   H 0 1 N N N 38.814 -25.693 24.298 -4.755 -1.942 1.444   H5   DPG 67  
DPG H61  1H6  H 0 1 N N N 40.364 -27.162 21.965 -7.270 -0.631 2.571   H61  DPG 68  
DPG H62  2H6  H 0 1 N N N 40.310 -25.473 21.987 -7.194 -1.644 1.109   H62  DPG 69  
DPG H111 1H11 H 0 0 N N N 29.052 -27.863 25.185 0.032  4.144  2.594   H111 DPG 70  
DPG H112 2H11 H 0 0 N N N 28.374 -27.993 23.645 1.611  3.681  1.913   H112 DPG 71  
DPG H121 1H12 H 0 0 N N N 28.006 -25.778 25.638 1.195  1.322  2.553   H121 DPG 72  
DPG H122 2H12 H 0 0 N N N 28.545 -25.077 24.188 -0.383 1.785  3.233   H122 DPG 73  
DPG H13  H13  H 0 1 N N N 26.649 -26.754 23.040 2.329  2.839  4.153   H13  DPG 74  
DPG H141 1H14 H 0 0 N N N 24.816 -26.856 24.633 -0.492 3.287  5.227   H141 DPG 75  
DPG H142 2H14 H 0 0 N N N 26.262 -27.716 25.450 1.007  3.894  5.967   H142 DPG 76  
DPG H143 3H14 H 0 0 N N N 25.879 -26.203 26.026 0.496  4.494  4.371   H143 DPG 77  
DPG H151 1H15 H 0 0 N N N 25.478 -24.404 24.405 1.913  0.480  4.793   H151 DPG 78  
DPG H152 2H15 H 0 0 N N N 26.932 -24.058 23.544 0.334  0.942  5.473   H152 DPG 79  
DPG H161 1H16 H 0 0 N N N 25.918 -25.085 21.421 1.469  2.459  7.073   H161 DPG 80  
DPG H162 2H16 H 0 0 N N N 24.463 -25.427 22.283 3.047  1.997  6.393   H162 DPG 81  
DPG H171 1H17 H 0 0 N N N 23.642 -23.310 22.106 2.631  -0.362 7.033   H171 DPG 82  
DPG H172 2H17 H 0 0 N N N 25.149 -22.551 22.520 1.053  0.100  7.713   H172 DPG 83  
DPG H18  H18  H 0 1 N N N 25.859 -23.075 20.070 2.187  1.617  9.313   H18  DPG 84  
DPG H191 1H19 H 0 0 N N N 24.814 -20.821 19.296 4.737  0.490  8.072   H191 DPG 85  
DPG H192 2H19 H 0 0 N N N 23.798 -20.872 20.828 4.148  2.160  7.896   H192 DPG 86  
DPG H193 3H19 H 0 0 N N N 25.483 -20.751 21.008 4.659  1.560  9.492   H193 DPG 87  
DPG H201 1H20 H 0 0 N N N 23.624 -24.417 19.552 3.349  -1.204 9.273   H201 DPG 88  
DPG H202 2H20 H 0 0 N N N 22.828 -22.939 19.448 1.771  -0.741 9.953   H202 DPG 89  
DPG H211 1H21 H 0 0 N N N 25.046 -22.206 17.903 2.905  0.775  11.553  H211 DPG 90  
DPG H212 2H21 H 0 0 N N N 25.227 -23.887 17.724 4.484  0.312  10.873  H212 DPG 91  
DPG H221 1H22 H 0 0 N N N 23.253 -24.187 16.478 4.067  -2.046 11.513  H221 DPG 92  
DPG H222 2H22 H 0 0 N N N 22.367 -22.963 17.351 2.489  -1.583 12.193  H222 DPG 93  
DPG H23  H23  H 0 1 N N N 22.289 -22.161 15.192 5.202  -0.529 13.113  H23  DPG 94  
DPG H241 1H24 H 0 0 N N N 23.948 -20.183 14.995 2.380  -0.081 14.186  H241 DPG 95  
DPG H242 2H24 H 0 0 N N N 23.416 -20.357 16.761 3.880  0.525  14.926  H242 DPG 96  
DPG H243 3H24 H 0 0 N N N 24.954 -20.919 16.365 3.369  1.125  13.331  H243 DPG 97  
DPG H251 1H25 H 0 0 N N N 25.317 -22.483 14.609 4.786  -2.889 13.753  H251 DPG 98  
DPG H252 2H25 H 0 0 N N N 24.286 -23.859 14.445 3.207  -2.426 14.433  H252 DPG 99  
DPG H261 1H26 H 0 0 N N N 23.285 -23.072 12.430 4.342  -0.909 16.033  H261 DPG 100 
DPG H262 2H26 H 0 0 N N N 23.329 -21.453 12.857 5.920  -1.372 15.353  H262 DPG 101 
DPG H271 1H27 H 0 0 N N N 26.082 -21.854 12.954 5.504  -3.731 15.993  H271 DPG 102 
DPG H272 2H27 H 0 0 N N N 25.734 -23.204 12.001 3.925  -3.268 16.673  H272 DPG 103 
DPG H28  H28  H 0 1 N N N 24.211 -21.615 10.538 5.060  -1.751 18.273  H28  DPG 104 
DPG H291 1H29 H 0 0 N N N 26.243 -20.910 9.261  6.144  -3.503 19.653  H291 DPG 105 
DPG H292 2H29 H 0 0 N N N 27.317 -21.426 10.682 4.644  -4.110 18.913  H292 DPG 106 
DPG H293 3H29 H 0 0 N N N 26.472 -22.641 9.883  6.222  -4.573 18.232  H293 DPG 107 
DPG H301 1H30 H 0 0 N N N 24.879 -19.194 10.514 7.610  -2.878 17.031  H301 DPG 108 
DPG H302 2H30 H 0 0 N N N 24.121 -19.706 12.103 7.021  -1.208 16.856  H302 DPG 109 
DPG H303 3H30 H 0 0 N N N 25.811 -19.500 12.064 7.532  -1.808 18.451  H303 DPG 110 
DPG H411 1H41 H 0 0 N N N 30.749 -23.391 22.421 -1.208 2.993  -3.596  H411 DPG 111 
DPG H412 2H41 H 0 0 N N N 31.674 -22.322 23.288 0.248  4.017  -3.602  H412 DPG 112 
DPG H421 1H42 H 0 0 N N N 28.624 -22.794 23.517 1.665  1.998  -3.858  H421 DPG 113 
DPG H422 2H42 H 0 0 N N N 29.405 -22.307 24.989 0.209  0.975  -3.852  H422 DPG 114 
DPG H43  H43  H 0 1 N N N 28.231 -20.369 23.802 -0.623 2.146  -5.872  H43  DPG 115 
DPG H441 1H44 H 0 0 N N N 30.114 -18.818 24.092 2.052  3.609  -5.729  H441 DPG 116 
DPG H442 2H44 H 0 0 N N N 30.247 -20.092 25.447 0.871  3.733  -7.055  H442 DPG 117 
DPG H443 3H44 H 0 0 N N N 31.346 -20.213 24.195 0.454  4.336  -5.433  H443 DPG 118 
DPG H451 1H45 H 0 0 N N N 30.291 -20.390 21.606 2.250  1.152  -6.135  H451 DPG 119 
DPG H452 2H45 H 0 0 N N N 28.897 -21.411 21.462 0.794  0.128  -6.128  H452 DPG 120 
DPG H461 1H46 H 0 0 N N N 27.571 -19.006 21.968 -0.038 1.300  -8.149  H461 DPG 121 
DPG H462 2H46 H 0 0 N N N 29.037 -18.343 21.362 1.418  2.323  -8.155  H462 DPG 122 
DPG H471 1H47 H 0 0 N N N 28.572 -20.183 19.318 2.835  0.305  -8.411  H471 DPG 123 
DPG H472 2H47 H 0 0 N N N 26.948 -20.027 19.876 1.379  -0.718 -8.405  H472 DPG 124 
DPG H48  H48  H 0 1 N N N 28.639 -17.582 18.997 2.003  1.476  -10.432 H48  DPG 125 
DPG H491 1H49 H 0 0 N N N 26.406 -16.447 18.800 -0.277 -0.544 -10.266 H491 DPG 126 
DPG H492 2H49 H 0 0 N N N 25.601 -17.939 19.528 -0.419 1.206  -9.977  H492 DPG 127 
DPG H493 3H49 H 0 0 N N N 26.660 -17.067 20.519 -0.002 0.602  -11.599 H493 DPG 128 
DPG H501 1H50 H 0 0 N N N 27.911 -19.686 17.350 3.420  -0.541 -10.688 H501 DPG 129 
DPG H502 2H50 H 0 0 N N N 26.406 -18.880 17.337 1.964  -1.565 -10.681 H502 DPG 130 
DPG H511 1H51 H 0 0 N N N 27.915 -16.644 16.786 1.132  -0.393 -12.702 H511 DPG 131 
DPG H512 2H51 H 0 0 N N N 29.125 -17.768 16.364 2.588  0.630  -12.709 H512 DPG 132 
DPG H521 1H52 H 0 0 N N N 26.883 -18.883 15.018 4.005  -1.388 -12.965 H521 DPG 133 
DPG H522 2H52 H 0 0 N N N 26.477 -17.215 14.989 2.549  -2.411 -12.958 H522 DPG 134 
DPG H53  H53  H 0 1 N N N 28.988 -16.840 14.057 1.717  -1.240 -14.979 H53  DPG 135 
DPG H541 1H54 H 0 0 N N N 29.990 -18.681 12.574 4.392  0.222  -14.835 H541 DPG 136 
DPG H542 2H54 H 0 0 N N N 29.974 -19.015 14.364 3.211  0.345  -16.161 H542 DPG 137 
DPG H543 3H54 H 0 0 N N N 28.802 -19.799 13.385 2.795  0.949  -14.539 H543 DPG 138 
DPG H551 1H55 H 0 0 N N N 26.378 -17.602 12.742 4.591  -2.235 -15.241 H551 DPG 139 
DPG H552 2H55 H 0 0 N N N 27.304 -16.155 12.568 3.134  -3.258 -15.235 H552 DPG 140 
DPG H561 1H56 H 0 0 N N N 28.938 -17.910 11.126 2.302  -2.087 -17.255 H561 DPG 141 
DPG H562 2H56 H 0 0 N N N 27.434 -18.718 10.933 3.758  -1.063 -17.262 H562 DPG 142 
DPG H571 1H57 H 0 0 N N N 26.639 -16.088 10.229 5.176  -3.081 -17.518 H571 DPG 143 
DPG H572 2H57 H 0 0 N N N 28.261 -15.983 9.817  3.719  -4.105 -17.511 H572 DPG 144 
DPG H58  H58  H 0 1 N N N 26.703 -18.520 9.180  4.343  -1.910 -19.539 H58  DPG 145 
DPG H591 1H59 H 0 0 N N N 26.088 -17.609 6.834  4.580  -3.805 -21.121 H591 DPG 146 
DPG H592 2H59 H 0 0 N N N 25.316 -16.689 8.224  5.761  -3.928 -19.794 H592 DPG 147 
DPG H593 3H59 H 0 0 N N N 26.644 -15.968 7.442  4.304  -4.952 -19.788 H593 DPG 148 
DPG H601 1H60 H 0 0 N N N 28.277 -18.900 7.175  2.062  -3.931 -19.373 H601 DPG 149 
DPG H602 2H60 H 0 0 N N N 29.203 -17.472 7.827  1.921  -2.181 -19.084 H602 DPG 150 
DPG H603 3H60 H 0 0 N N N 29.042 -18.855 8.828  2.337  -2.784 -20.706 H603 DPG 151 
DPG HO5  HO5  H 0 1 N N N 36.290 -27.284 25.160 -4.040 3.136  1.578   HO5  DPG 152 
DPG HO7  HO7  H 0 1 N N N 39.379 -28.031 24.548 -5.180 -0.134 3.602   HO7  DPG 153 
DPG HO0  HO0  H 0 1 N N N 43.078 -28.083 25.968 -9.627 -4.407 3.977   HO0  DPG 154 
DPG HO1  HO1  H 0 1 N N N 40.657 -28.414 26.176 -8.789 -1.578 4.592   HO1  DPG 155 
# 
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 
DPG C1  C2   SING N N 1   
DPG C1  O1   SING N N 2   
DPG C1  H11  SING N N 3   
DPG C1  H12  SING N N 4   
DPG C2  C3   SING N N 5   
DPG C2  O2   SING N N 6   
DPG C2  H2   SING N N 7   
DPG C3  O3   SING N N 8   
DPG C3  H31  SING N N 9   
DPG C3  H32  SING N N 10  
DPG C4  C5   SING N N 11  
DPG C4  O6   SING N N 12  
DPG C4  H41  SING N N 13  
DPG C4  H42  SING N N 14  
DPG C5  C6   SING N N 15  
DPG C5  O7   SING N N 16  
DPG C5  H5   SING N N 17  
DPG C6  O8   SING N N 18  
DPG C6  H61  SING N N 19  
DPG C6  H62  SING N N 20  
DPG C11 C12  SING N N 21  
DPG C11 O1   SING N N 22  
DPG C11 H111 SING N N 23  
DPG C11 H112 SING N N 24  
DPG C12 C13  SING N N 25  
DPG C12 H121 SING N N 26  
DPG C12 H122 SING N N 27  
DPG C13 C14  SING N N 28  
DPG C13 C15  SING N N 29  
DPG C13 H13  SING N N 30  
DPG C14 H141 SING N N 31  
DPG C14 H142 SING N N 32  
DPG C14 H143 SING N N 33  
DPG C15 C16  SING N N 34  
DPG C15 H151 SING N N 35  
DPG C15 H152 SING N N 36  
DPG C16 C17  SING N N 37  
DPG C16 H161 SING N N 38  
DPG C16 H162 SING N N 39  
DPG C17 C18  SING N N 40  
DPG C17 H171 SING N N 41  
DPG C17 H172 SING N N 42  
DPG C18 C19  SING N N 43  
DPG C18 C20  SING N N 44  
DPG C18 H18  SING N N 45  
DPG C19 H191 SING N N 46  
DPG C19 H192 SING N N 47  
DPG C19 H193 SING N N 48  
DPG C20 C21  SING N N 49  
DPG C20 H201 SING N N 50  
DPG C20 H202 SING N N 51  
DPG C21 C22  SING N N 52  
DPG C21 H211 SING N N 53  
DPG C21 H212 SING N N 54  
DPG C22 C23  SING N N 55  
DPG C22 H221 SING N N 56  
DPG C22 H222 SING N N 57  
DPG C23 C24  SING N N 58  
DPG C23 C25  SING N N 59  
DPG C23 H23  SING N N 60  
DPG C24 H241 SING N N 61  
DPG C24 H242 SING N N 62  
DPG C24 H243 SING N N 63  
DPG C25 C26  SING N N 64  
DPG C25 H251 SING N N 65  
DPG C25 H252 SING N N 66  
DPG C26 C27  SING N N 67  
DPG C26 H261 SING N N 68  
DPG C26 H262 SING N N 69  
DPG C27 C28  SING N N 70  
DPG C27 H271 SING N N 71  
DPG C27 H272 SING N N 72  
DPG C28 C29  SING N N 73  
DPG C28 C30  SING N N 74  
DPG C28 H28  SING N N 75  
DPG C29 H291 SING N N 76  
DPG C29 H292 SING N N 77  
DPG C29 H293 SING N N 78  
DPG C30 H301 SING N N 79  
DPG C30 H302 SING N N 80  
DPG C30 H303 SING N N 81  
DPG C41 C42  SING N N 82  
DPG C41 O2   SING N N 83  
DPG C41 H411 SING N N 84  
DPG C41 H412 SING N N 85  
DPG C42 C43  SING N N 86  
DPG C42 H421 SING N N 87  
DPG C42 H422 SING N N 88  
DPG C43 C44  SING N N 89  
DPG C43 C45  SING N N 90  
DPG C43 H43  SING N N 91  
DPG C44 H441 SING N N 92  
DPG C44 H442 SING N N 93  
DPG C44 H443 SING N N 94  
DPG C45 C46  SING N N 95  
DPG C45 H451 SING N N 96  
DPG C45 H452 SING N N 97  
DPG C46 C47  SING N N 98  
DPG C46 H461 SING N N 99  
DPG C46 H462 SING N N 100 
DPG C47 C48  SING N N 101 
DPG C47 H471 SING N N 102 
DPG C47 H472 SING N N 103 
DPG C48 C49  SING N N 104 
DPG C48 C50  SING N N 105 
DPG C48 H48  SING N N 106 
DPG C49 H491 SING N N 107 
DPG C49 H492 SING N N 108 
DPG C49 H493 SING N N 109 
DPG C50 C51  SING N N 110 
DPG C50 H501 SING N N 111 
DPG C50 H502 SING N N 112 
DPG C51 C52  SING N N 113 
DPG C51 H511 SING N N 114 
DPG C51 H512 SING N N 115 
DPG C52 C53  SING N N 116 
DPG C52 H521 SING N N 117 
DPG C52 H522 SING N N 118 
DPG C53 C54  SING N N 119 
DPG C53 C55  SING N N 120 
DPG C53 H53  SING N N 121 
DPG C54 H541 SING N N 122 
DPG C54 H542 SING N N 123 
DPG C54 H543 SING N N 124 
DPG C55 C56  SING N N 125 
DPG C55 H551 SING N N 126 
DPG C55 H552 SING N N 127 
DPG C56 C57  SING N N 128 
DPG C56 H561 SING N N 129 
DPG C56 H562 SING N N 130 
DPG C57 C58  SING N N 131 
DPG C57 H571 SING N N 132 
DPG C57 H572 SING N N 133 
DPG C58 C59  SING N N 134 
DPG C58 C60  SING N N 135 
DPG C58 H58  SING N N 136 
DPG C59 H591 SING N N 137 
DPG C59 H592 SING N N 138 
DPG C59 H593 SING N N 139 
DPG C60 H601 SING N N 140 
DPG C60 H602 SING N N 141 
DPG C60 H603 SING N N 142 
DPG O3  P1   SING N N 143 
DPG O4  P1   DOUB N N 144 
DPG O5  P1   SING N N 145 
DPG O5  HO5  SING N N 146 
DPG O6  P1   SING N N 147 
DPG O7  HO7  SING N N 148 
DPG O8  P2   SING N N 149 
DPG O9  P2   DOUB N N 150 
DPG O10 P2   SING N N 151 
DPG O10 HO0  SING N N 152 
DPG O11 P2   SING N N 153 
DPG O11 HO1  SING N N 154 
# 
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 
DPG SMILES           ACDLabs              10.04 O=P(O)(O)OCC(O)COP(=O)(O)OCC(OCCC(CCCC(C)CCCC(C)CCCC(C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C 
DPG InChI            InChI                1.02b 
;InChI=1/C46H96O11P2/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-31-53-35-46(36-57-59(51,52)56-34-45(47)33-55-58(48,49)50)54-32-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h37-47H,11-36H2,1-10H3,(H,51,52)(H2,48,49,50)/t39-,40-,41+,42+,43-,44-,45-,46+/m0/s1/f/h48-49,51H
;
DPG InChIKey         InChI                1.02b TZXJQSKPTCRGCA-AVGRPCAFDR 
DPG SMILES_CANONICAL CACTVS               3.341 CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCOC[C@H](CO[P@@](O)(=O)OC[C@@H](O)CO[P](O)(O)=O)OCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 
DPG SMILES           CACTVS               3.341 CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH](CO[P](O)(=O)OC[CH](O)CO[P](O)(O)=O)OCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(C)C 
DPG SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCOC[C@H](CO[P@](=O)(O)OC[C@H](COP(=O)(O)O)O)OCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 
DPG SMILES           "OpenEye OEToolkits" 1.5.0 CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)OCC(COP(=O)(O)O)O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C 
# 
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 
DPG "SYSTEMATIC NAME" ACDLabs              10.04 "(2S,5R,8R,13S,17R,21S)-2,5-dihydroxy-13,17,21,25-tetramethyl-5-oxido-8-{[(3S,7R,11S)-3,7,11,15-tetramethylhexadecyl]oxy}-4,6,10-trioxa-5-phosphahexacos-1-yl dihydrogen phosphate" 
DPG "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R)-2,3-bis[(3S,7R,11S)-3,7,11,15-tetramethylhexadecoxy]propyl] [(2S)-2-hydroxy-3-phosphonooxy-propyl] hydrogen phosphate"                                                       
# 
