data_2DP
# 
_chem_comp.id                                    2DP 
_chem_comp.name                                  3-[[3-METHYLPHOSPHONO-GLYCEROLYL]PHOSPHONYL]-[1,2-DI[2,6,10,14-TETRAMETHYL-HEXADECAN-16-YL]GLYCEROL 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C47 H98 O11 P2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_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                        901.222 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     2DP 
_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        2AT9 
_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 
2DP C1   C1   C 0 1 N N N 2.349  5.989  -12.643 -0.315 4.229  0.001   C1   2DP 1   
2DP C2   C2   C 0 1 N N R 1.578  5.408  -13.846 0.375  3.947  1.337   C2   2DP 2   
2DP C3   C3   C 0 1 N N N 1.256  6.460  -14.947 1.833  3.557  1.085   C3   2DP 3   
2DP C4   C4   C 0 1 N N N 2.681  4.585  -19.101 4.956  0.459  -1.034  C4   2DP 4   
2DP C5   C5   C 0 1 N N S 3.843  5.347  -19.927 5.147  -0.786 -1.901  C5   2DP 5   
2DP C6   C6   C 0 1 N N N 3.204  6.074  -21.165 6.642  -1.063 -2.074  C6   2DP 6   
2DP C11  C11  C 0 1 N N N 2.300  5.020  -10.400 -0.926 3.384  -2.042  C11  2DP 7   
2DP C12  C12  C 0 1 N N N 1.659  5.285  -9.007  -0.912 2.166  -2.967  C12  2DP 8   
2DP C13  C13  C 0 1 N N S 2.534  6.072  -7.969  -1.616 2.515  -4.280  C13  2DP 9   
2DP C14  C14  C 0 1 N N N 2.809  7.448  -8.549  -0.886 3.678  -4.957  C14  2DP 10  
2DP C15  C15  C 0 1 N N N 1.822  6.300  -6.599  -1.602 1.297  -5.206  C15  2DP 11  
2DP C16  C16  C 0 1 N N N 2.576  5.779  -5.337  -2.305 1.646  -6.519  C16  2DP 12  
2DP C17  C17  C 0 1 N N N 2.896  6.809  -4.209  -2.291 0.428  -7.445  C17  2DP 13  
2DP C18  C18  C 0 1 N N S 1.773  7.620  -3.456  -2.995 0.777  -8.758  C18  2DP 14  
2DP C19  C19  C 0 1 N N N 0.374  7.060  -3.370  -2.265 1.939  -9.434  C19  2DP 15  
2DP C20  C20  C 0 1 N N N 2.061  9.008  -2.780  -2.981 -0.440 -9.683  C20  2DP 16  
2DP C21  C21  C 0 1 N N N 1.633  9.316  -1.322  -3.685 -0.091 -10.996 C21  2DP 17  
2DP C22  C22  C 0 1 N N N 1.922  8.227  -0.260  -3.671 -1.309 -11.922 C22  2DP 18  
2DP C23  C23  C 0 1 N N R 1.906  8.562  1.246   -4.374 -0.960 -13.235 C23  2DP 19  
2DP C24  C24  C 0 1 N N N 2.171  9.990  1.659   -5.821 -0.555 -12.946 C24  2DP 20  
2DP C25  C25  C 0 1 N N N 1.627  7.472  2.331   -4.360 -2.178 -14.161 C25  2DP 21  
2DP C26  C26  C 0 1 N N N 2.374  7.626  3.687   -5.064 -1.829 -15.474 C26  2DP 22  
2DP C27  C27  C 0 1 N N N 1.423  8.256  4.681   -5.050 -3.047 -16.399 C27  2DP 23  
2DP C28  C28  C 0 1 N N N 1.507  7.752  6.104   -5.754 -2.698 -17.712 C28  2DP 24  
2DP C29  C29  C 0 1 N N N 1.009  6.315  6.300   -5.740 -3.916 -18.638 C29  2DP 25  
2DP C30  C30  C 0 1 N N N 0.785  8.691  7.071   -7.201 -2.293 -17.424 C30  2DP 26  
2DP C41  C41  C 0 1 N N N -0.887 5.435  -13.022 -0.138 3.097  3.405   C41  2DP 27  
2DP C42  C42  C 0 1 N N N -1.826 4.343  -12.383 -0.838 1.979  4.180   C42  2DP 28  
2DP C43  C43  C 0 1 N N S -3.412 4.492  -12.359 -0.669 2.217  5.682   C43  2DP 29  
2DP C44  C44  C 0 1 N N N -4.034 4.344  -13.793 -1.290 3.563  6.058   C44  2DP 30  
2DP C45  C45  C 0 1 N N N -4.076 3.444  -11.367 -1.369 1.098  6.457   C45  2DP 31  
2DP C46  C46  C 0 1 N N N -4.557 3.871  -9.936  -1.200 1.336  7.959   C46  2DP 32  
2DP C47  C47  C 0 1 N N N -3.505 4.413  -8.884  -1.900 0.218  8.734   C47  2DP 33  
2DP C48  C48  C 0 1 N N R -2.932 3.535  -7.699  -1.732 0.456  10.236  C48  2DP 34  
2DP C49  C49  C 0 1 N N N -2.921 2.024  -8.018  -0.242 0.465  10.587  C49  2DP 35  
2DP C50  C50  C 0 1 N N N -3.754 3.801  -6.430  -2.431 -0.662 11.011  C50  2DP 36  
2DP C51  C51  C 0 1 N N N -2.942 4.361  -5.249  -2.263 -0.424 12.513  C51  2DP 37  
2DP C52  C52  C 0 1 N N N -2.091 3.331  -4.492  -2.962 -1.542 13.288  C52  2DP 38  
2DP C53  C53  C 0 1 N N S -1.016 3.862  -3.459  -2.794 -1.305 14.790  C53  2DP 39  
2DP C54  C54  C 0 1 N N N -1.384 3.608  -1.954  -3.415 0.041  15.166  C54  2DP 40  
2DP C55  C55  C 0 1 N N N 0.399  3.258  -3.915  -3.494 -2.423 15.565  C55  2DP 41  
2DP C56  C56  C 0 1 N N N 1.203  2.350  -2.955  -3.325 -2.185 17.067  C56  2DP 42  
2DP C57  C57  C 0 1 N N N 2.468  2.971  -2.311  -4.025 -3.303 17.842  C57  2DP 43  
2DP C58  C58  C 0 1 N N N 2.245  4.171  -1.340  -3.856 -3.066 19.344  C58  2DP 44  
2DP C59  C59  C 0 1 N N N 1.605  3.802  0.034   -4.556 -4.184 20.119  C59  2DP 45  
2DP C60  C60  C 0 1 N N N 3.563  4.973  -1.124  -2.367 -3.056 19.695  C60  2DP 46  
2DP O1   O1   O 0 1 N N N 1.613  5.824  -11.398 -0.269 3.058  -0.815  O1   2DP 47  
2DP O2   O2   O 0 1 N N N 0.360  4.723  -13.384 -0.295 2.875  2.002   O2   2DP 48  
2DP O3   O3   O 0 1 N N N 1.784  6.025  -16.267 1.879  2.385  0.267   O3   2DP 49  
2DP O4   O4   O 0 1 N N N 2.091  7.838  -18.176 4.077  1.786  1.354   O4   2DP 50  
2DP O5   O5   O 0 1 N N N -0.244 7.056  -17.608 4.163  3.270  -0.686  O5   2DP 51  
2DP O6   O6   O 0 1 N N N 1.414  5.337  -18.772 3.560  0.717  -0.873  O6   2DP 52  
2DP O7   O7   O 0 1 N N N 4.891  4.456  -20.450 4.551  -0.571 -3.182  O7   2DP 53  
2DP O8   O8   O 0 1 N N N 4.150  6.295  -22.263 6.820  -2.227 -2.884  O8   2DP 54  
2DP O9   O9   O 0 1 N N N 2.678  4.642  -23.706 9.024  -1.274 -3.662  O9   2DP 55  
2DP O10  O10  O 0 1 N N N 3.668  6.764  -24.791 9.049  -2.675 -1.563  O10  2DP 56  
2DP O11  O11  O 0 1 N N N 5.122  4.814  -24.176 8.683  -3.761 -3.929  O11  2DP 57  
2DP P1   P1   P 0 1 N N R 1.224  6.672  -17.745 3.434  2.034  0.044   P1   2DP 58  
2DP P2   P2   P 0 1 N N S 3.894  5.605  -23.776 8.407  -2.458 -3.024  P2   2DP 59  
2DP CM   CM   C 0 1 N N N 5.160  3.840  -25.318 10.101 -3.912 -4.015  CM   2DP 60  
2DP H11  1H1  H 0 1 N N N 3.373  5.554  -12.569 -1.353 4.507  0.180   H11  2DP 61  
2DP H12  2H1  H 0 1 N N N 2.623  7.056  -12.813 0.197  5.047  -0.506  H12  2DP 62  
2DP H2   H2   H 0 1 N N N 2.253  4.666  -14.333 0.340  4.840  1.960   H2   2DP 63  
2DP H31  1H3  H 0 1 N N N 0.165  6.686  -14.994 2.325  3.355  2.036   H31  2DP 64  
2DP H32  2H3  H 0 1 N N N 1.627  7.474  -14.668 2.345  4.374  0.577   H32  2DP 65  
2DP H41  1H4  H 0 1 N N N 2.413  3.644  -19.637 5.411  0.295  -0.057  H41  2DP 66  
2DP H42  2H4  H 0 1 N N N 3.115  4.179  -18.157 5.431  1.313  -1.517  H42  2DP 67  
2DP H5   H5   H 0 1 N N N 4.316  6.050  -19.202 4.673  -1.641 -1.419  H5   2DP 68  
2DP H61  1H6  H 0 1 N N N 2.302  5.524  -21.524 7.096  -1.228 -1.097  H61  2DP 69  
2DP H62  2H6  H 0 1 N N N 2.725  7.032  -20.856 7.116  -0.209 -2.556  H62  2DP 70  
2DP H111 1H11 H 0 0 N N N 3.401  5.193  -10.400 -1.957 3.672  -1.836  H111 2DP 71  
2DP H112 2H11 H 0 0 N N N 2.312  3.936  -10.662 -0.406 4.212  -2.523  H112 2DP 72  
2DP H121 1H12 H 0 0 N N N 0.679  5.800  -9.137  0.118  1.877  -3.173  H121 2DP 73  
2DP H122 2H12 H 0 0 N N N 1.324  4.320  -8.559  -1.432 1.338  -2.486  H122 2DP 74  
2DP H13  H13  H 0 1 N N N 3.451  5.465  -7.786  -2.646 2.803  -4.075  H13  2DP 75  
2DP H141 1H14 H 0 0 N N N 3.430  8.007  -7.811  0.144  3.389  -5.162  H141 2DP 76  
2DP H142 2H14 H 0 0 N N N 3.270  7.407  -9.563  -1.387 3.926  -5.892  H142 2DP 77  
2DP H143 3H14 H 0 0 N N N 1.878  7.992  -8.833  -0.896 4.545  -4.297  H143 2DP 78  
2DP H151 1H15 H 0 0 N N N 1.580  7.381  -6.474  -0.571 1.008  -5.412  H151 2DP 79  
2DP H152 2H15 H 0 0 N N N 0.795  5.866  -6.630  -2.122 0.469  -4.724  H152 2DP 80  
2DP H161 1H16 H 0 0 N N N 2.014  4.919  -4.901  -3.336 1.934  -6.314  H161 2DP 81  
2DP H162 2H16 H 0 0 N N N 3.519  5.275  -5.653  -1.785 2.474  -7.001  H162 2DP 82  
2DP H171 1H17 H 0 0 N N N 3.506  6.283  -3.437  -1.261 0.139  -7.650  H171 2DP 83  
2DP H172 2H17 H 0 0 N N N 3.622  7.546  -4.623  -2.811 -0.399 -6.963  H172 2DP 84  
2DP H18  H18  H 0 1 N N N 2.835  7.674  -3.790  -4.026 1.065  -8.552  H18  2DP 85  
2DP H191 1H19 H 0 0 N N N -0.420 7.633  -2.837  -1.234 1.651  -9.639  H191 2DP 86  
2DP H192 2H19 H 0 0 N N N 0.017  6.837  -4.402  -2.766 2.188  -10.369 H192 2DP 87  
2DP H193 3H19 H 0 0 N N N 0.428  6.037  -2.928  -2.275 2.807  -8.774  H193 2DP 88  
2DP H201 1H20 H 0 0 N N N 3.155  9.205  -2.862  -1.950 -0.729 -9.889  H201 2DP 89  
2DP H202 2H20 H 0 0 N N N 1.630  9.801  -3.435  -3.501 -1.269 -9.202  H202 2DP 90  
2DP H211 1H21 H 0 0 N N N 2.086  10.281 -0.997  -4.715 0.196  -10.791 H211 2DP 91  
2DP H212 2H21 H 0 0 N N N 0.549  9.578  -1.300  -3.165 0.736  -11.478 H212 2DP 92  
2DP H221 1H22 H 0 0 N N N 1.219  7.378  -0.433  -2.640 -1.598 -12.128 H221 2DP 93  
2DP H222 2H22 H 0 0 N N N 2.906  7.761  -0.500  -4.191 -2.138 -11.440 H222 2DP 94  
2DP H23  H23  H 0 1 N N N 1.658  7.512  1.528   -3.854 -0.132 -13.717 H23  2DP 95  
2DP H241 1H24 H 0 0 N N N 2.159  10.232 2.747   -6.341 -1.384 -12.465 H241 2DP 96  
2DP H242 2H24 H 0 0 N N N 3.141  10.322 1.221   -5.831 0.312  -12.287 H242 2DP 97  
2DP H243 3H24 H 0 0 N N N 1.457  10.662 1.128   -6.322 -0.307 -13.882 H243 2DP 98  
2DP H251 1H25 H 0 0 N N N 0.529  7.400  2.515   -3.330 -2.467 -14.366 H251 2DP 99  
2DP H252 2H25 H 0 0 N N N 1.829  6.461  1.905   -4.880 -3.007 -13.679 H252 2DP 100 
2DP H261 1H26 H 0 0 N N N 2.803  6.664  4.052   -6.095 -1.541 -15.268 H261 2DP 101 
2DP H262 2H26 H 0 0 N N N 3.330  8.190  3.589   -4.544 -1.001 -15.955 H262 2DP 102 
2DP H271 1H27 H 0 0 N N N 1.544  9.364  4.667   -4.019 -3.336 -16.605 H271 2DP 103 
2DP H272 2H27 H 0 0 N N N 0.375  8.162  4.310   -5.570 -3.876 -15.918 H272 2DP 104 
2DP H28  H28  H 0 1 N N N 2.597  7.738  6.335   -5.234 -1.870 -18.194 H28  2DP 105 
2DP H291 1H29 H 0 0 N N N 1.070  5.943  7.349   -6.241 -3.668 -19.573 H291 2DP 106 
2DP H292 2H29 H 0 0 N N N -0.030 6.207  5.911   -4.709 -4.205 -18.844 H292 2DP 107 
2DP H293 3H29 H 0 0 N N N 1.544  5.621  5.610   -6.260 -4.745 -18.156 H293 2DP 108 
2DP H301 1H30 H 0 0 N N N 0.846  8.319  8.120   -7.720 -3.122 -16.942 H301 2DP 109 
2DP H302 2H30 H 0 0 N N N 1.163  9.736  6.984   -7.210 -1.426 -16.764 H302 2DP 110 
2DP H303 3H30 H 0 0 N N N -0.271 8.864  6.760   -7.702 -2.045 -18.359 H303 2DP 111 
2DP H411 1H41 H 0 0 N N N -1.352 5.983  -13.873 0.922  3.104  3.655   H411 2DP 112 
2DP H412 2H41 H 0 0 N N N -0.722 6.322  -12.367 -0.581 4.057  3.673   H412 2DP 113 
2DP H421 1H42 H 0 0 N N N -1.585 3.366  -12.865 -1.899 1.972  3.930   H421 2DP 114 
2DP H422 2H42 H 0 0 N N N -1.486 4.177  -11.334 -0.395 1.019  3.912   H422 2DP 115 
2DP H43  H43  H 0 1 N N N -3.632 5.520  -11.990 0.391  2.223  5.932   H43  2DP 116 
2DP H441 1H44 H 0 0 N N N -5.144 4.448  -13.776 -2.351 3.557  5.808   H441 2DP 117 
2DP H442 2H44 H 0 0 N N N -3.570 5.058  -14.512 -1.170 3.733  7.128   H442 2DP 118 
2DP H443 3H44 H 0 0 N N N -3.723 3.386  -14.273 -0.792 4.360  5.506   H443 2DP 119 
2DP H451 1H45 H 0 0 N N N -4.937 2.969  -11.892 -2.430 1.092  6.207   H451 2DP 120 
2DP H452 2H45 H 0 0 N N N -3.374 2.584  -11.252 -0.926 0.139  6.189   H452 2DP 121 
2DP H461 1H46 H 0 0 N N N -5.369 4.626  -10.045 -0.140 1.343  8.209   H461 2DP 122 
2DP H462 2H46 H 0 0 N N N -5.108 3.017  -9.478  -1.643 2.296  8.227   H462 2DP 123 
2DP H471 1H47 H 0 0 N N N -2.633 4.805  -9.458  -2.961 0.211  8.484   H471 2DP 124 
2DP H472 2H47 H 0 0 N N N -3.932 5.339  -8.434  -1.458 -0.741 8.466   H472 2DP 125 
2DP H48  H48  H 0 1 N N N -1.868 3.833  -7.545  -2.174 1.415  10.504  H48  2DP 126 
2DP H491 1H49 H 0 0 N N N -2.517 1.405  -7.182  0.199  -0.494 10.319  H491 2DP 127 
2DP H492 2H49 H 0 0 N N N -3.935 1.673  -8.318  0.255  1.262  10.035  H492 2DP 128 
2DP H493 3H49 H 0 0 N N N -2.370 1.821  -8.965  -0.122 0.634  11.657  H493 2DP 129 
2DP H501 1H50 H 0 0 N N N -4.616 4.469  -6.659  -3.492 -0.669 10.761  H501 2DP 130 
2DP H502 2H50 H 0 0 N N N -4.301 2.879  -6.122  -1.989 -1.621 10.744  H502 2DP 131 
2DP H511 1H51 H 0 0 N N N -2.303 5.208  -5.590  -1.202 -0.417 12.763  H511 2DP 132 
2DP H512 2H51 H 0 0 N N N -3.615 4.896  -4.540  -2.705 0.535  12.781  H512 2DP 133 
2DP H521 1H52 H 0 0 N N N -2.766 2.609  -3.975  -4.023 -1.549 13.038  H521 2DP 134 
2DP H522 2H52 H 0 0 N N N -1.588 2.662  -5.229  -2.520 -2.502 13.021  H522 2DP 135 
2DP H53  H53  H 0 1 N N N -0.975 4.975  -3.486  -1.733 -1.298 15.040  H53  2DP 136 
2DP H541 1H54 H 0 0 N N N -0.626 3.982  -1.226  -4.476 0.035  14.916  H541 2DP 137 
2DP H542 2H54 H 0 0 N N N -2.389 4.031  -1.722  -3.295 0.211  16.236  H542 2DP 138 
2DP H543 3H54 H 0 0 N N N -1.588 2.525  -1.780  -2.917 0.838  14.614  H543 2DP 139 
2DP H551 1H55 H 0 0 N N N 0.254  2.712  -4.876  -4.555 -2.430 15.315  H551 2DP 140 
2DP H552 2H55 H 0 0 N N N 1.055  4.101  -4.232  -3.051 -3.382 15.298  H552 2DP 141 
2DP H561 1H56 H 0 0 N N N 0.529  1.959  -2.156  -2.264 -2.178 17.317  H561 2DP 142 
2DP H562 2H56 H 0 0 N N N 1.474  1.401  -3.475  -3.768 -1.226 17.335  H562 2DP 143 
2DP H571 1H57 H 0 0 N N N 3.052  2.175  -1.793  -5.086 -3.310 17.592  H571 2DP 144 
2DP H572 2H57 H 0 0 N N N 3.187  3.266  -3.110  -3.582 -4.263 17.575  H572 2DP 145 
2DP H58  H58  H 0 1 N N N 1.491  4.810  -1.856  -4.299 -2.106 19.612  H58  2DP 146 
2DP H591 1H59 H 0 0 N N N 1.445  4.659  0.728   -4.436 -4.014 21.190  H591 2DP 147 
2DP H592 2H59 H 0 0 N N N 0.647  3.252  -0.123  -5.617 -4.191 19.869  H592 2DP 148 
2DP H593 3H59 H 0 0 N N N 2.205  3.008  0.536   -4.114 -5.143 19.852  H593 2DP 149 
2DP H601 1H60 H 0 0 N N N 3.403  5.830  -0.429  -1.925 -4.016 19.428  H601 2DP 150 
2DP H602 2H60 H 0 0 N N N 4.392  4.313  -0.776  -1.869 -2.259 19.143  H602 2DP 151 
2DP H603 3H60 H 0 0 N N N 4.003  5.305  -2.092  -2.247 -2.887 20.766  H603 2DP 152 
2DP HO5  HO5  H 0 1 N N N -0.555 7.415  -18.430 3.715  3.397  -1.533  HO5  2DP 153 
2DP HO7  HO7  H 0 1 N N N 5.573  4.903  -20.935 4.999  0.191  -3.574  HO7  2DP 154 
2DP HOA  HOA  H 0 1 N N N 3.523  6.374  -25.645 8.620  -3.454 -1.182  HOA  2DP 155 
2DP HM1  1HM  H 0 1 N N N 6.064  3.257  -25.612 10.337 -4.786 -4.622  HM1  2DP 156 
2DP HM2  2HM  H 0 1 N N N 4.338  3.105  -25.148 10.534 -3.023 -4.474  HM2  2DP 157 
2DP HM3  3HM  H 0 1 N N N 4.813  4.387  -26.225 10.514 -4.042 -3.015  HM3  2DP 158 
# 
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 
2DP C1  C2   SING N N 1   
2DP C1  O1   SING N N 2   
2DP C1  H11  SING N N 3   
2DP C1  H12  SING N N 4   
2DP C2  C3   SING N N 5   
2DP C2  O2   SING N N 6   
2DP C2  H2   SING N N 7   
2DP C3  O3   SING N N 8   
2DP C3  H31  SING N N 9   
2DP C3  H32  SING N N 10  
2DP C4  C5   SING N N 11  
2DP C4  O6   SING N N 12  
2DP C4  H41  SING N N 13  
2DP C4  H42  SING N N 14  
2DP C5  C6   SING N N 15  
2DP C5  O7   SING N N 16  
2DP C5  H5   SING N N 17  
2DP C6  O8   SING N N 18  
2DP C6  H61  SING N N 19  
2DP C6  H62  SING N N 20  
2DP C11 C12  SING N N 21  
2DP C11 O1   SING N N 22  
2DP C11 H111 SING N N 23  
2DP C11 H112 SING N N 24  
2DP C12 C13  SING N N 25  
2DP C12 H121 SING N N 26  
2DP C12 H122 SING N N 27  
2DP C13 C14  SING N N 28  
2DP C13 C15  SING N N 29  
2DP C13 H13  SING N N 30  
2DP C14 H141 SING N N 31  
2DP C14 H142 SING N N 32  
2DP C14 H143 SING N N 33  
2DP C15 C16  SING N N 34  
2DP C15 H151 SING N N 35  
2DP C15 H152 SING N N 36  
2DP C16 C17  SING N N 37  
2DP C16 H161 SING N N 38  
2DP C16 H162 SING N N 39  
2DP C17 C18  SING N N 40  
2DP C17 H171 SING N N 41  
2DP C17 H172 SING N N 42  
2DP C18 C19  SING N N 43  
2DP C18 C20  SING N N 44  
2DP C18 H18  SING N N 45  
2DP C19 H191 SING N N 46  
2DP C19 H192 SING N N 47  
2DP C19 H193 SING N N 48  
2DP C20 C21  SING N N 49  
2DP C20 H201 SING N N 50  
2DP C20 H202 SING N N 51  
2DP C21 C22  SING N N 52  
2DP C21 H211 SING N N 53  
2DP C21 H212 SING N N 54  
2DP C22 C23  SING N N 55  
2DP C22 H221 SING N N 56  
2DP C22 H222 SING N N 57  
2DP C23 C24  SING N N 58  
2DP C23 C25  SING N N 59  
2DP C23 H23  SING N N 60  
2DP C24 H241 SING N N 61  
2DP C24 H242 SING N N 62  
2DP C24 H243 SING N N 63  
2DP C25 C26  SING N N 64  
2DP C25 H251 SING N N 65  
2DP C25 H252 SING N N 66  
2DP C26 C27  SING N N 67  
2DP C26 H261 SING N N 68  
2DP C26 H262 SING N N 69  
2DP C27 C28  SING N N 70  
2DP C27 H271 SING N N 71  
2DP C27 H272 SING N N 72  
2DP C28 C29  SING N N 73  
2DP C28 C30  SING N N 74  
2DP C28 H28  SING N N 75  
2DP C29 H291 SING N N 76  
2DP C29 H292 SING N N 77  
2DP C29 H293 SING N N 78  
2DP C30 H301 SING N N 79  
2DP C30 H302 SING N N 80  
2DP C30 H303 SING N N 81  
2DP C41 C42  SING N N 82  
2DP C41 O2   SING N N 83  
2DP C41 H411 SING N N 84  
2DP C41 H412 SING N N 85  
2DP C42 C43  SING N N 86  
2DP C42 H421 SING N N 87  
2DP C42 H422 SING N N 88  
2DP C43 C44  SING N N 89  
2DP C43 C45  SING N N 90  
2DP C43 H43  SING N N 91  
2DP C44 H441 SING N N 92  
2DP C44 H442 SING N N 93  
2DP C44 H443 SING N N 94  
2DP C45 C46  SING N N 95  
2DP C45 H451 SING N N 96  
2DP C45 H452 SING N N 97  
2DP C46 C47  SING N N 98  
2DP C46 H461 SING N N 99  
2DP C46 H462 SING N N 100 
2DP C47 C48  SING N N 101 
2DP C47 H471 SING N N 102 
2DP C47 H472 SING N N 103 
2DP C48 C49  SING N N 104 
2DP C48 C50  SING N N 105 
2DP C48 H48  SING N N 106 
2DP C49 H491 SING N N 107 
2DP C49 H492 SING N N 108 
2DP C49 H493 SING N N 109 
2DP C50 C51  SING N N 110 
2DP C50 H501 SING N N 111 
2DP C50 H502 SING N N 112 
2DP C51 C52  SING N N 113 
2DP C51 H511 SING N N 114 
2DP C51 H512 SING N N 115 
2DP C52 C53  SING N N 116 
2DP C52 H521 SING N N 117 
2DP C52 H522 SING N N 118 
2DP C53 C54  SING N N 119 
2DP C53 C55  SING N N 120 
2DP C53 H53  SING N N 121 
2DP C54 H541 SING N N 122 
2DP C54 H542 SING N N 123 
2DP C54 H543 SING N N 124 
2DP C55 C56  SING N N 125 
2DP C55 H551 SING N N 126 
2DP C55 H552 SING N N 127 
2DP C56 C57  SING N N 128 
2DP C56 H561 SING N N 129 
2DP C56 H562 SING N N 130 
2DP C57 C58  SING N N 131 
2DP C57 H571 SING N N 132 
2DP C57 H572 SING N N 133 
2DP C58 C59  SING N N 134 
2DP C58 C60  SING N N 135 
2DP C58 H58  SING N N 136 
2DP C59 H591 SING N N 137 
2DP C59 H592 SING N N 138 
2DP C59 H593 SING N N 139 
2DP C60 H601 SING N N 140 
2DP C60 H602 SING N N 141 
2DP C60 H603 SING N N 142 
2DP O3  P1   SING N N 143 
2DP O4  P1   DOUB N N 144 
2DP O5  P1   SING N N 145 
2DP O5  HO5  SING N N 146 
2DP O6  P1   SING N N 147 
2DP O7  HO7  SING N N 148 
2DP O8  P2   SING N N 149 
2DP O9  P2   DOUB N N 150 
2DP O10 P2   SING N N 151 
2DP O10 HOA  SING N N 152 
2DP O11 P2   SING N N 153 
2DP O11 CM   SING N N 154 
2DP CM  HM1  SING N N 155 
2DP CM  HM2  SING N N 156 
2DP CM  HM3  SING N N 157 
# 
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 
2DP SMILES           ACDLabs              10.04 O=P(O)(OC)OCC(O)COP(=O)(O)OCC(OCCC(C)CCCC(C)CCCC(C)CCCC(C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C 
2DP InChI            InChI                1.02b 
;InChI=1/C47H98O11P2/c1-38(2)18-12-20-40(5)22-14-24-42(7)26-16-28-44(9)30-32-54-36-47(37-58-60(51,52)57-35-46(48)34-56-59(49,50)53-11)55-33-31-45(10)29-17-27-43(8)25-15-23-41(6)21-13-19-39(3)4/h38-48H,12-37H2,1-11H3,(H,49,50)(H,51,52)/t40?,41-,42?,43+,44-,45-,46-,47+/m0/s1/f/h49,51H
;
2DP InChIKey         InChI                1.02b ORVRQEXCVQTLMU-QBUDVTLMDI 
2DP SMILES_CANONICAL CACTVS               3.341 CO[P@@](O)(=O)OC[C@H](O)CO[P@](O)(=O)OC[C@@H](COCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)OCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 
2DP SMILES           CACTVS               3.341 CO[P](O)(=O)OC[CH](O)CO[P](O)(=O)OC[CH](COCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(C)C)OCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(C)C 
2DP SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CC(C)CCCC(C)CCCC(C)CCC[C@H](C)CCOC[C@H](CO[P@](=O)(O)OC[C@H](CO[P@@](=O)(O)OC)O)OCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 
2DP SMILES           "OpenEye OEToolkits" 1.5.0 CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)OCC(COP(=O)(O)OC)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 
2DP "SYSTEMATIC NAME" ACDLabs              10.04 
"(2S,5R,8R,13S,17S,21R)-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 methyl hydrogen (S)-phosphate (non-preferred name)" 
2DP "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R)-2,3-bis[(3S,7R,11S)-3,7,11,15-tetramethylhexadecoxy]propyl] [(2S)-2-hydroxy-3-(hydroxy-methoxy-phosphoryl)oxy-propyl] hydrogen phosphate" 
# 
