data_DGG
# 
_chem_comp.id                                    DGG 
_chem_comp.name                                  "1-[GLYCEROLYLPHOSPHONYL]-2-[8-(2-HEXYL-CYCLOPROPYL)-OCTANAL-1-YL]-3-[HEXADECANAL-1-YL]-GLYCEROL" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C39 H75 O10 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-08-19 
_chem_comp.pdbx_modified_date                    2011-06-04 
_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                        734.981 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     DGG 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   Y 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1CQX 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  EBI 
# 
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 
DGG C16  C16  C 0 1 N N N 48.148 17.768 69.039 26.080 -9.831  -15.557 C16  DGG 1   
DGG C15  C15  C 0 1 N N N 47.585 17.171 70.339 25.479 -9.479  -14.205 C15  DGG 2   
DGG C14  C14  C 0 1 N N N 46.240 17.785 70.756 24.070 -8.886  -14.295 C14  DGG 3   
DGG C13  C13  C 0 1 N N N 45.985 17.649 72.290 23.485 -8.506  -12.932 C13  DGG 4   
DGG C12  C12  C 0 1 N N N 44.476 17.703 72.648 22.074 -7.915  -13.019 C12  DGG 5   
DGG C11  C11  C 0 1 N N N 44.190 18.488 73.925 21.518 -7.464  -11.667 C11  DGG 6   
DGG C10  C10  C 0 1 N N N 44.126 19.994 73.671 20.097 -6.912  -11.809 C10  DGG 7   
DGG C9   C9   C 0 1 N N N 45.497 20.657 73.714 19.531 -6.486  -10.453 C9   DGG 8   
DGG C8   C8   C 0 1 N N N 45.538 21.910 72.852 18.124 -5.902  -10.597 C8   DGG 9   
DGG C7   C7   C 0 1 N N N 44.605 22.972 73.366 17.518 -5.422  -9.273  C7   DGG 10  
DGG C6   C6   C 0 1 N N N 45.059 24.317 72.910 16.121 -4.800  -9.364  C6   DGG 11  
DGG C5   C5   C 0 1 N N N 44.294 25.409 73.623 15.592 -4.286  -8.022  C5   DGG 12  
DGG C4   C4   C 0 1 N N N 45.093 26.709 73.730 14.232 -3.605  -8.190  C4   DGG 13  
DGG C3   C3   C 0 1 N N N 46.039 26.888 72.561 13.653 -3.049  -6.884  C3   DGG 14  
DGG C2   C2   C 0 1 N N N 46.258 28.352 72.197 12.328 -2.302  -7.024  C2   DGG 15  
DGG C1   C1   C 0 1 N N N 46.253 28.573 70.685 11.796 -1.822  -5.695  C1   DGG 16  
DGG O1   O1   O 0 1 N N N 45.227 28.365 70.020 12.347 -2.028  -4.621  O1   DGG 17  
DGG O17  O17  O 0 1 N N N 47.469 28.486 70.040 10.632 -1.136  -5.883  O17  DGG 18  
DGG C17  C17  C 0 1 N N N 47.597 29.142 68.891 10.018 -0.620  -4.698  C17  DGG 19  
DGG C19  C19  C 0 1 N N R 47.974 28.309 67.665 8.739  0.112   -5.082  C19  DGG 20  
DGG O19  O19  O 0 1 N N N 47.187 27.160 67.494 7.877  -0.821  -5.738  O19  DGG 21  
DGG C21  C21  C 0 1 N N N 47.373 26.341 66.432 6.686  -0.316  -6.172  C21  DGG 22  
DGG O21  O21  O 0 1 N N N 47.707 26.811 65.354 6.304  0.840   -6.048  O21  DGG 23  
DGG C22  C22  C 0 1 N N N 46.644 25.025 66.469 5.878  -1.398  -6.845  C22  DGG 24  
DGG C23  C23  C 0 1 N N N 46.215 24.566 65.085 4.555  -0.879  -7.402  C23  DGG 25  
DGG C24  C24  C 0 1 N N N 45.223 23.447 65.177 3.745  -1.975  -8.103  C24  DGG 26  
DGG C25  C25  C 0 1 N N N 44.803 23.029 63.800 2.440  -1.416  -8.676  C25  DGG 27  
DGG C26  C26  C 0 1 N N N 44.182 21.669 63.845 1.593  -2.467  -9.399  C26  DGG 28  
DGG C27  C27  C 0 1 N N N 42.740 21.769 64.240 0.301  -1.903  -9.994  C27  DGG 29  
DGG C28  C28  C 0 1 N N N 42.204 20.426 64.631 -0.538 -3.006  -10.640 C28  DGG 30  
DGG C29  C29  C 0 1 N N S 40.885 20.632 65.324 -1.842 -2.459  -11.200 C29  DGG 31  
DGG C30  C30  C 0 1 N N R 40.760 19.941 66.681 -3.106 -2.863  -10.537 C30  DGG 32  
DGG C39  C39  C 0 1 N N N 40.098 19.331 65.448 -2.752 -3.404  -11.891 C39  DGG 33  
DGG C31  C31  C 0 1 N N N 41.930 19.062 67.055 -3.022 -3.758  -9.356  C31  DGG 34  
DGG C32  C32  C 0 1 N N N 42.019 18.914 68.547 -3.454 -3.063  -8.049  C32  DGG 35  
DGG C33  C33  C 0 1 N N N 42.631 20.141 69.171 -3.407 -4.001  -6.840  C33  DGG 36  
DGG C34  C34  C 0 1 N N N 43.992 20.415 68.581 -3.877 -3.290  -5.569  C34  DGG 37  
DGG C35  C35  C 0 1 N N N 44.678 21.539 69.333 -3.872 -4.193  -4.333  C35  DGG 38  
DGG C36  C36  C 0 1 N N N 46.097 21.756 68.830 -4.314 -3.484  -3.062  C36  DGG 39  
DGG C18  C18  C 0 1 N N N 47.868 29.134 66.518 8.021  0.662   -3.855  C18  DGG 40  
DGG P    P    P 0 1 N N R 48.746 31.461 66.069 6.900  -0.049  -1.606  P    DGG 41  
DGG OP1  OP1  O 0 1 N N N 49.174 30.801 64.812 5.480  0.536   -2.119  OP1  DGG 42  
DGG OP2  OP2  O 0 1 N N N 47.826 30.549 66.847 7.674  -0.406  -2.979  OP2  DGG 43  
DGG OP3  OP3  O 0 1 N N N 49.928 31.899 66.864 7.640  0.868   -0.675  OP3  DGG 44  
DGG OP4  OP4  O 0 1 N N N 47.853 32.586 65.743 6.542  -1.505  -0.995  OP4  DGG 45  
DGG C40  C40  C 0 1 N N N ?      ?      ?      5.845  -2.454  -1.783  C40  DGG 46  
DGG C41  C41  C 0 1 N N R ?      ?      ?      5.633  -3.734  -0.984  C41  DGG 47  
DGG O42  O42  O 0 1 N N N ?      ?      ?      6.909  -4.278  -0.640  O42  DGG 48  
DGG C43  C43  C 0 1 N N N ?      ?      ?      4.880  -4.780  -1.796  C43  DGG 49  
DGG O44  O44  O 0 1 N N N ?      ?      ?      4.736  -5.959  -1.011  O44  DGG 50  
DGG H161 1H16 H 0 0 N N N 48.282 18.853 69.161 25.418 -10.495 -16.121 H161 DGG 51  
DGG H162 2H16 H 0 0 N N N 49.118 17.302 68.812 27.037 -10.345 -15.419 H162 DGG 52  
DGG H163 3H16 H 0 0 N N N 47.446 17.576 68.214 26.269 -8.937  -16.158 H163 DGG 53  
DGG H151 1H15 H 0 0 N N N 47.438 16.092 70.186 25.432 -10.391 -13.599 H151 DGG 54  
DGG H152 2H15 H 0 0 N N N 48.307 17.388 71.140 26.144 -8.784  -13.679 H152 DGG 55  
DGG H141 1H14 H 0 0 N N N 46.245 18.853 70.494 23.427 -9.632  -14.775 H141 DGG 56  
DGG H142 2H14 H 0 0 N N N 45.440 17.245 70.228 24.082 -8.008  -14.951 H142 DGG 57  
DGG H131 1H13 H 0 0 N N N 46.389 16.683 72.626 24.128 -7.759  -12.454 H131 DGG 58  
DGG H132 2H13 H 0 0 N N N 46.479 18.495 72.789 23.476 -9.384  -12.274 H132 DGG 59  
DGG H121 1H12 H 0 0 N N N 43.942 18.189 71.818 21.396 -8.647  -13.475 H121 DGG 60  
DGG H122 2H12 H 0 0 N N N 44.140 16.669 72.815 22.109 -7.053  -13.696 H122 DGG 61  
DGG H111 1H11 H 0 0 N N N 43.222 18.159 74.330 22.170 -6.692  -11.241 H111 DGG 62  
DGG H112 2H11 H 0 0 N N N 45.010 18.297 74.633 21.506 -8.304  -10.964 H112 DGG 63  
DGG H101 1H10 H 0 0 N N N 43.691 20.160 72.674 20.103 -6.051  -12.489 H101 DGG 64  
DGG H102 2H10 H 0 0 N N N 43.514 20.441 74.468 19.449 -7.675  -12.257 H102 DGG 65  
DGG HC91 1HC9 H 0 0 N N N 45.724 20.935 74.754 19.503 -7.349  -9.776  HC91 DGG 66  
DGG HC92 2HC9 H 0 0 N N N 46.239 19.944 73.324 20.204 -5.745  -10.008 HC92 DGG 67  
DGG HC81 1HC8 H 0 0 N N N 46.563 22.308 72.857 17.459 -6.666  -11.018 HC81 DGG 68  
DGG HC82 2HC8 H 0 0 N N N 45.221 21.637 71.835 18.136 -5.079  -11.321 HC82 DGG 69  
DGG HC71 1HC7 H 0 0 N N N 43.592 22.782 72.982 17.484 -6.272  -8.580  HC71 DGG 70  
DGG HC72 2HC7 H 0 0 N N N 44.601 22.947 74.466 18.194 -4.685  -8.822  HC72 DGG 71  
DGG HC61 1HC6 H 0 0 N N N 46.131 24.428 73.129 15.419 -5.527  -9.788  HC61 DGG 72  
DGG HC62 2HC6 H 0 0 N N N 44.877 24.405 71.829 16.162 -3.965  -10.075 HC62 DGG 73  
DGG HC51 1HC5 H 0 0 N N N 43.371 25.612 73.060 15.492 -5.124  -7.327  HC51 DGG 74  
DGG HC52 2HC5 H 0 0 N N N 44.082 25.059 74.644 16.310 -3.582  -7.587  HC52 DGG 75  
DGG HC41 1HC4 H 0 0 N N N 44.389 27.554 73.746 13.521 -4.313  -8.635  HC41 DGG 76  
DGG HC42 2HC4 H 0 0 N N N 45.692 26.668 74.652 14.328 -2.777  -8.903  HC42 DGG 77  
DGG HC31 1HC3 H 0 0 N N N 47.011 26.449 72.831 14.400 -2.379  -6.438  HC31 DGG 78  
DGG HC32 2HC3 H 0 0 N N N 45.588 26.392 71.689 13.515 -3.875  -6.175  HC32 DGG 79  
DGG HC21 1HC2 H 0 0 N N N 45.449 28.950 72.642 11.569 -2.959  -7.464  HC21 DGG 80  
DGG HC22 2HC2 H 0 0 N N N 47.242 28.656 72.583 12.441 -1.457  -7.712  HC22 DGG 81  
DGG H171 1H17 H 0 0 N N N 46.627 29.614 68.677 9.808  -1.464  -4.033  H171 DGG 82  
DGG H172 2H17 H 0 0 N N N 48.434 29.839 69.042 10.730 0.057   -4.215  H172 DGG 83  
DGG H191 1H19 H 0 0 N N N 49.003 27.950 67.816 8.952  0.907   -5.805  H191 DGG 84  
DGG H221 1H22 H 0 0 N N N 47.314 24.265 66.898 5.699  -2.193  -6.113  H221 DGG 85  
DGG H222 2H22 H 0 0 N N N 45.738 25.157 67.078 6.487  -1.841  -7.642  H222 DGG 86  
DGG H231 1H23 H 0 0 N N N 45.753 25.412 64.554 3.966  -0.471  -6.572  H231 DGG 87  
DGG H232 2H23 H 0 0 N N N 47.102 24.207 64.542 4.737  -0.054  -8.102  H232 DGG 88  
DGG H241 1H24 H 0 0 N N N 45.684 22.592 65.694 3.519  -2.776  -7.389  H241 DGG 89  
DGG H242 2H24 H 0 0 N N N 44.341 23.788 65.739 4.345  -2.413  -8.907  H242 DGG 90  
DGG H251 1H25 H 0 0 N N N 44.070 23.750 63.409 1.839  -0.998  -7.858  H251 DGG 91  
DGG H252 2H25 H 0 0 N N N 45.687 23.001 63.146 2.661  -0.587  -9.359  H252 DGG 92  
DGG H261 1H26 H 0 0 N N N 44.253 21.206 62.850 2.190  -2.939  -10.189 H261 DGG 93  
DGG H262 2H26 H 0 0 N N N 44.715 21.056 64.587 1.341  -3.256  -8.680  H262 DGG 94  
DGG H271 1H27 H 0 0 N N N 42.648 22.455 65.095 0.534  -1.144  -10.749 H271 DGG 95  
DGG H272 2H27 H 0 0 N N N 42.163 22.145 63.382 -0.283 -1.411  -9.207  H272 DGG 96  
DGG H281 1H28 H 0 0 N N N 42.063 19.803 63.735 -0.763 -3.784  -9.901  H281 DGG 97  
DGG H282 2H28 H 0 0 N N N 42.910 19.916 65.302 0.029  -3.481  -11.449 H282 DGG 98  
DGG H291 1H29 H 0 0 N N N 40.687 21.652 64.964 -1.701 -1.469  -11.575 H291 DGG 99  
DGG H301 1H30 H 0 0 N N N 40.469 20.305 67.677 -3.931 -2.167  -10.466 H301 DGG 100 
DGG H391 1H39 H 0 0 N N N 39.043 19.106 65.235 -2.418 -4.433  -11.965 H391 DGG 101 
DGG H392 2H39 H 0 0 N N N 40.107 18.351 64.949 -3.339 -3.065  -12.736 H392 DGG 102 
DGG H311 1H31 H 0 0 N N N 41.795 18.069 66.601 -1.990 -4.140  -9.221  H311 DGG 103 
DGG H312 2H31 H 0 0 N N N 42.857 19.526 66.686 -3.655 -4.658  -9.495  H312 DGG 104 
DGG H321 1H32 H 0 0 N N N 41.007 18.771 68.954 -2.798 -2.201  -7.871  H321 DGG 105 
DGG H322 2H32 H 0 0 N N N 42.654 18.046 68.779 -4.472 -2.674  -8.173  H322 DGG 106 
DGG H331 1H33 H 0 0 N N N 41.977 21.005 68.982 -2.381 -4.365  -6.710  H331 DGG 107 
DGG H332 2H33 H 0 0 N N N 42.740 19.972 70.252 -4.041 -4.875  -7.029  H332 DGG 108 
DGG H341 1H34 H 0 0 N N N 44.606 19.505 68.652 -4.900 -2.924  -5.721  H341 DGG 109 
DGG H342 2H34 H 0 0 N N N 43.872 20.711 67.528 -3.250 -2.409  -5.384  H342 DGG 110 
DGG H351 1H35 H 0 0 N N N 44.104 22.466 69.188 -4.550 -5.035  -4.516  H351 DGG 111 
DGG H352 2H35 H 0 0 N N N 44.724 21.268 70.398 -2.872 -4.617  -4.185  H352 DGG 112 
DGG H361 1H36 H 0 0 N N N 46.093 21.808 67.731 -4.383 -4.201  -2.238  H361 DGG 113 
DGG H362 2H36 H 0 0 N N N 46.491 22.697 69.240 -5.297 -3.021  -3.191  H362 DGG 114 
DGG H363 3H36 H 0 0 N N N 46.733 20.919 69.155 -3.601 -2.709  -2.766  H363 DGG 115 
DGG H181 1H18 H 0 0 N N N 48.743 28.952 65.877 7.102  1.188   -4.128  H181 DGG 116 
DGG H182 2H18 H 0 0 N N N 46.926 28.881 66.010 8.666  1.345   -3.293  H182 DGG 117 
DGG HOP1 1HOP H 0 0 N N N 49.266 31.453 64.127 5.435  1.466   -2.427  HOP1 DGG 118 
DGG H401 1H40 H 0 0 N N N ?      ?      ?      4.893  -2.007  -2.088  H401 DGG 119 
DGG H402 2H40 H 0 0 N N N ?      ?      ?      6.449  -2.642  -2.676  H402 DGG 120 
DGG H411 1H41 H 0 0 N N N ?      ?      ?      5.112  -3.531  -0.041  H411 DGG 121 
DGG H421 1H42 H 0 0 N N N ?      ?      ?      7.125  -3.931  0.238   H421 DGG 122 
DGG H431 1H43 H 0 0 N N N ?      ?      ?      5.428  -5.046  -2.706  H431 DGG 123 
DGG H432 2H43 H 0 0 N N N ?      ?      ?      3.879  -4.426  -2.063  H432 DGG 124 
DGG H441 1H44 H 0 0 N N N ?      ?      ?      4.732  -5.676  -0.083  H441 DGG 125 
# 
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 
DGG C16 C15  SING N N 1   
DGG C16 H161 SING N N 2   
DGG C16 H162 SING N N 3   
DGG C16 H163 SING N N 4   
DGG C15 C14  SING N N 5   
DGG C15 H151 SING N N 6   
DGG C15 H152 SING N N 7   
DGG C14 C13  SING N N 8   
DGG C14 H141 SING N N 9   
DGG C14 H142 SING N N 10  
DGG C13 C12  SING N N 11  
DGG C13 H131 SING N N 12  
DGG C13 H132 SING N N 13  
DGG C12 C11  SING N N 14  
DGG C12 H121 SING N N 15  
DGG C12 H122 SING N N 16  
DGG C11 C10  SING N N 17  
DGG C11 H111 SING N N 18  
DGG C11 H112 SING N N 19  
DGG C10 C9   SING N N 20  
DGG C10 H101 SING N N 21  
DGG C10 H102 SING N N 22  
DGG C9  C8   SING N N 23  
DGG C9  HC91 SING N N 24  
DGG C9  HC92 SING N N 25  
DGG C8  C7   SING N N 26  
DGG C8  HC81 SING N N 27  
DGG C8  HC82 SING N N 28  
DGG C7  C6   SING N N 29  
DGG C7  HC71 SING N N 30  
DGG C7  HC72 SING N N 31  
DGG C6  C5   SING N N 32  
DGG C6  HC61 SING N N 33  
DGG C6  HC62 SING N N 34  
DGG C5  C4   SING N N 35  
DGG C5  HC51 SING N N 36  
DGG C5  HC52 SING N N 37  
DGG C4  C3   SING N N 38  
DGG C4  HC41 SING N N 39  
DGG C4  HC42 SING N N 40  
DGG C3  C2   SING N N 41  
DGG C3  HC31 SING N N 42  
DGG C3  HC32 SING N N 43  
DGG C2  C1   SING N N 44  
DGG C2  HC21 SING N N 45  
DGG C2  HC22 SING N N 46  
DGG C1  O1   DOUB N N 47  
DGG C1  O17  SING N N 48  
DGG O17 C17  SING N N 49  
DGG C17 C19  SING N N 50  
DGG C17 H171 SING N N 51  
DGG C17 H172 SING N N 52  
DGG C19 O19  SING N N 53  
DGG C19 C18  SING N N 54  
DGG C19 H191 SING N N 55  
DGG O19 C21  SING N N 56  
DGG C21 O21  DOUB N N 57  
DGG C21 C22  SING N N 58  
DGG C22 C23  SING N N 59  
DGG C22 H221 SING N N 60  
DGG C22 H222 SING N N 61  
DGG C23 C24  SING N N 62  
DGG C23 H231 SING N N 63  
DGG C23 H232 SING N N 64  
DGG C24 C25  SING N N 65  
DGG C24 H241 SING N N 66  
DGG C24 H242 SING N N 67  
DGG C25 C26  SING N N 68  
DGG C25 H251 SING N N 69  
DGG C25 H252 SING N N 70  
DGG C26 C27  SING N N 71  
DGG C26 H261 SING N N 72  
DGG C26 H262 SING N N 73  
DGG C27 C28  SING N N 74  
DGG C27 H271 SING N N 75  
DGG C27 H272 SING N N 76  
DGG C28 C29  SING N N 77  
DGG C28 H281 SING N N 78  
DGG C28 H282 SING N N 79  
DGG C29 C30  SING N N 80  
DGG C29 C39  SING N N 81  
DGG C29 H291 SING N N 82  
DGG C30 C39  SING N N 83  
DGG C30 C31  SING N N 84  
DGG C30 H301 SING N N 85  
DGG C39 H391 SING N N 86  
DGG C39 H392 SING N N 87  
DGG C31 C32  SING N N 88  
DGG C31 H311 SING N N 89  
DGG C31 H312 SING N N 90  
DGG C32 C33  SING N N 91  
DGG C32 H321 SING N N 92  
DGG C32 H322 SING N N 93  
DGG C33 C34  SING N N 94  
DGG C33 H331 SING N N 95  
DGG C33 H332 SING N N 96  
DGG C34 C35  SING N N 97  
DGG C34 H341 SING N N 98  
DGG C34 H342 SING N N 99  
DGG C35 C36  SING N N 100 
DGG C35 H351 SING N N 101 
DGG C35 H352 SING N N 102 
DGG C36 H361 SING N N 103 
DGG C36 H362 SING N N 104 
DGG C36 H363 SING N N 105 
DGG C18 OP2  SING N N 106 
DGG C18 H181 SING N N 107 
DGG C18 H182 SING N N 108 
DGG P   OP1  SING N N 109 
DGG P   OP2  SING N N 110 
DGG P   OP3  DOUB N N 111 
DGG P   OP4  SING N N 112 
DGG OP1 HOP1 SING N N 113 
DGG OP4 C40  SING N N 114 
DGG C40 C41  SING N N 115 
DGG C40 H401 SING N N 116 
DGG C40 H402 SING N N 117 
DGG C41 O42  SING N N 118 
DGG C41 C43  SING N N 119 
DGG C41 H411 SING N N 120 
DGG O42 H421 SING N N 121 
DGG C43 O44  SING N N 122 
DGG C43 H431 SING N N 123 
DGG C43 H432 SING N N 124 
DGG O44 H441 SING N N 125 
# 
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 
DGG SMILES           ACDLabs              10.04 "O=P(O)(OCC(O)CO)OCC(OC(=O)CCCCCCCC1CC1CCCCCC)COC(=O)CCCCCCCCCCCCCCC" 
DGG SMILES_CANONICAL CACTVS               3.341 "CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OCC(O)CO)OC(=O)CCCCCCC[C@H]1C[C@H]1CCCCCC" 
DGG SMILES           CACTVS               3.341 "CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC(O)CO)OC(=O)CCCCCCC[CH]1C[CH]1CCCCCC" 
DGG SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@H]1C[C@H]1CCCCCC" 
DGG SMILES           "OpenEye OEToolkits" 1.5.0 "CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC1CC1CCCCCC" 
DGG InChI            InChI                1.03  
"InChI=1S/C39H75O10P/c1-3-5-7-9-10-11-12-13-14-15-16-19-23-27-38(42)46-32-37(33-48-50(44,45)47-31-36(41)30-40)49-39(43)28-24-20-17-18-22-26-35-29-34(35)25-21-8-6-4-2/h34-37,40-41H,3-33H2,1-2H3,(H,44,45)/t34-,35+,36?,37-/m1/s1" 
DGG InChIKey         InChI                1.03  JWIOKCJPLNKYBQ-JIZALCTLSA-N 
# 
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 
DGG "SYSTEMATIC NAME" ACDLabs              10.04 "(2R)-3-{[(S)-(2,3-dihydroxypropoxy)(hydroxy)phosphoryl]oxy}-2-({8-[(1S,2R)-2-hexylcyclopropyl]octanoyl}oxy)propyl hexadecanoate" 
DGG "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R)-3-[[(2R)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl]oxy-2-[8-[(1S,2R)-2-hexylcyclopropyl]octanoyloxy]propyl] hexadecanoate"  
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
DGG "Create component"  1999-08-19 EBI  
DGG "Modify descriptor" 2011-06-04 RCSB 
# 
