data_LP4
# 
_chem_comp.id                                    LP4 
_chem_comp.name                                  "(R)-((2R,3S,4R,5S)-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-3-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C34 H66 N O11 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2006-12-26 
_chem_comp.pdbx_modified_date                    2008-10-14 
_chem_comp.pdbx_ambiguous_flag                   ? 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        695.862 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     LP4 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        "OpenEye/OEToolkits V1.4.2" 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        ? 
_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 
LP4 O48  O48  O 0 1 N N N -1.823 5.569  13.560 5.673  3.596  -0.219  O48  LP4 1   
LP4 P45  P45  P 0 1 N N N -1.161 5.855  14.897 4.304  3.425  -0.808  P45  LP4 2   
LP4 O46  O46  O 0 1 N N N -1.364 4.823  15.989 3.665  4.754  -1.471  O46  LP4 3   
LP4 O47  O47  O 0 1 N N N 0.268  6.335  14.766 4.203  2.332  -1.995  O47  LP4 4   
LP4 O4   O4   O 0 1 N N N -2.015 7.133  15.397 3.169  2.928  0.228   O4   LP4 5   
LP4 C4   C4   C 0 1 N N R -1.760 7.761  16.646 1.838  2.742  -0.263  C4   LP4 6   
LP4 C5   C5   C 0 1 N N R -2.923 7.450  17.580 0.937  2.367  0.923   C5   LP4 7   
LP4 O5   O5   O 0 1 N N N -2.747 8.170  18.801 1.180  1.024  1.357   O5   LP4 8   
LP4 C6   C6   C 0 1 N N N -2.986 5.948  17.867 -0.550 2.605  0.671   C6   LP4 9   
LP4 O6   O6   O 0 1 N N N -4.347 5.511  17.987 -1.272 2.213  1.824   O6   LP4 10  
LP4 C3   C3   C 0 1 N N R -1.533 9.257  16.439 1.870  1.685  -1.373  C3   LP4 11  
LP4 O3   O3   O 0 1 N N N -0.279 9.437  15.766 0.670  1.753  -2.142  O3   LP4 12  
LP4 C28  C28  C 0 1 N N N -0.352 10.108 14.470 0.423  2.954  -2.747  C28  LP4 13  
LP4 O42  O42  O 0 1 N N N -1.420 10.581 14.103 1.271  3.746  -3.134  O42  LP4 14  
LP4 C29  C29  C 0 1 N N N 0.886  10.214 13.593 -1.075 3.141  -2.877  C29  LP4 15  
LP4 C30  C30  C 0 1 N N R 0.536  9.952  12.121 -1.439 4.451  -3.583  C30  LP4 16  
LP4 O43  O43  O 0 1 N N N 1.097  8.706  11.683 -0.841 5.540  -2.872  O43  LP4 17  
LP4 C31  C31  C 0 1 N N N 1.064  11.072 11.228 -2.950 4.711  -3.643  C31  LP4 18  
LP4 C32  C32  C 0 1 N N N 2.564  10.962 10.992 -3.798 3.625  -4.310  C32  LP4 19  
LP4 C33  C33  C 0 1 N N N 3.133  12.297 10.518 -3.466 3.413  -5.788  C33  LP4 20  
LP4 C34  C34  C 0 1 N N N 4.361  12.710 11.329 -4.404 2.384  -6.424  C34  LP4 21  
LP4 C35  C35  C 0 1 N N N 4.248  14.123 11.900 -4.098 2.196  -7.912  C35  LP4 22  
LP4 C36  C36  C 0 1 N N N 3.833  15.129 10.831 -5.059 1.191  -8.551  C36  LP4 23  
LP4 C37  C37  C 0 1 N N N 2.772  16.087 11.369 -4.812 0.979  -10.047 C37  LP4 24  
LP4 C38  C38  C 0 1 N N N 1.517  15.339 11.856 -5.820 0.032  -10.702 C38  LP4 25  
LP4 C39  C39  C 0 1 N N N 0.684  16.134 12.877 -5.521 -0.153 -12.191 C39  LP4 26  
LP4 C40  C40  C 0 1 N N N -0.711 15.541 13.050 -6.506 -1.124 -12.841 C40  LP4 27  
LP4 C41  C41  C 0 1 N N N -0.652 14.054 13.341 -6.233 -1.284 -14.328 C41  LP4 28  
LP4 C2   C2   C 0 1 N N S -1.521 9.977  17.786 2.000  0.261  -0.819  C2   LP4 29  
LP4 C1   C1   C 0 1 N N N -2.740 9.580  18.612 1.039  0.028  0.346   C1   LP4 30  
LP4 N2   N2   N 0 1 N N N -1.710 11.396 17.499 3.361  -0.023 -0.421  N2   LP4 31  
LP4 C7   C7   C 0 1 N N N -0.772 12.299 17.747 4.294  -0.547 -1.305  C7   LP4 32  
LP4 O7   O7   O 0 1 N N N 0.309  12.007 18.230 4.072  -0.818 -2.483  O7   LP4 33  
LP4 C8   C8   C 0 1 N N N -1.100 13.728 17.386 5.646  -0.749 -0.639  C8   LP4 34  
LP4 C16  C16  C 0 1 N N R -0.381 14.674 18.334 6.689  -1.360 -1.580  C16  LP4 35  
LP4 O44  O44  O 0 1 N N N -1.218 14.846 19.477 6.200  -2.607 -2.072  O44  LP4 36  
LP4 C17  C17  C 0 1 N N N -0.131 16.020 17.647 8.021  -1.584 -0.851  C17  LP4 37  
LP4 C18  C18  C 0 1 N N N 0.410  17.094 18.590 9.128  -2.194 -1.720  C18  LP4 38  
LP4 C19  C19  C 0 1 N N N 1.466  17.972 17.928 10.451 -2.384 -0.975  C19  LP4 39  
LP4 C20  C20  C 0 1 N N N 1.260  19.447 18.240 11.491 -3.071 -1.864  C20  LP4 40  
LP4 C21  C21  C 0 1 N N N 2.581  20.184 18.430 12.827 -3.319 -1.157  C21  LP4 41  
LP4 C22  C22  C 0 1 N N N 2.954  21.003 17.202 13.901 -4.024 -1.992  C22  LP4 42  
LP4 C23  C23  C 0 1 N N N 4.033  20.266 16.409 15.213 -4.334 -1.264  C23  LP4 43  
LP4 C24  C24  C 0 1 N N N 4.542  21.023 15.180 16.216 -5.109 -2.123  C24  LP4 44  
LP4 C25  C25  C 0 1 N N N 3.569  20.926 14.006 17.538 -5.311 -1.379  C25  LP4 45  
LP4 C26  C26  C 0 1 N N N 3.652  19.605 13.251 18.571 -6.106 -2.181  C26  LP4 46  
LP4 C27  C27  C 0 1 N N N 2.248  19.241 12.828 19.877 -6.333 -1.436  C27  LP4 47  
LP4 HO46 HO46 H 0 0 N N N -1.406 3.956  15.602 4.207  5.279  -2.098  HO46 LP4 48  
LP4 HO47 HO47 H 0 0 N N N 0.486  6.436  13.847 4.862  2.357  -2.721  HO47 LP4 49  
LP4 H4   H4   H 0 1 N N N -0.841 7.375  17.111 1.516  3.707  -0.671  H4   LP4 50  
LP4 H5   H5   H 0 1 N N N -3.865 7.755  17.101 1.213  2.997  1.777   H5   LP4 51  
LP4 H61  1H6  H 0 1 N N N -2.506 5.404  17.040 -0.882 2.011  -0.181  H61  LP4 52  
LP4 H62  2H6  H 0 1 N N N -2.464 5.746  18.814 -0.730 3.662  0.474   H62  LP4 53  
LP4 HO6  HO6  H 0 1 N N N -4.569 5.414  18.906 -1.677 1.352  1.628   HO6  LP4 54  
LP4 H3   H3   H 0 1 N N N -2.346 9.681  15.831 2.700  1.891  -2.059  H3   LP4 55  
LP4 H291 1H29 H 0 0 N N N 1.625  9.469  13.924 -1.500 3.134  -1.866  H291 LP4 56  
LP4 H292 2H29 H 0 0 N N N 1.296  11.231 13.683 -1.453 2.281  -3.438  H292 LP4 57  
LP4 H30  H30  H 0 1 N N N -0.560 9.911  12.043 -1.017 4.472  -4.593  H30  LP4 58  
LP4 HO43 HO43 H 0 0 N N N 1.221  8.728  10.741 -0.395 5.150  -2.106  HO43 LP4 59  
LP4 H311 1H31 H 0 0 N N N 0.856  12.036 11.715 -3.118 5.664  -4.163  H311 LP4 60  
LP4 H312 2H31 H 0 0 N N N 0.561  10.993 10.253 -3.328 4.874  -2.625  H312 LP4 61  
LP4 H321 1H32 H 0 0 N N N 2.752  10.198 10.224 -3.693 2.679  -3.766  H321 LP4 62  
LP4 H322 2H32 H 0 0 N N N 3.053  10.683 11.937 -4.852 3.915  -4.216  H322 LP4 63  
LP4 H331 1H33 H 0 0 N N N 3.424  12.201 9.461  -2.432 3.067  -5.894  H331 LP4 64  
LP4 H332 2H33 H 0 0 N N N 2.359  13.067 10.651 -3.549 4.366  -6.325  H332 LP4 65  
LP4 H341 1H34 H 0 0 N N N 4.476  12.006 12.167 -4.303 1.424  -5.904  H341 LP4 66  
LP4 H342 2H34 H 0 0 N N N 5.227  12.694 10.652 -5.444 2.711  -6.301  H342 LP4 67  
LP4 H351 1H35 H 0 0 N N N 5.227  14.420 12.305 -3.064 1.850  -8.022  H351 LP4 68  
LP4 H352 2H35 H 0 0 N N N 3.478  14.117 12.686 -4.176 3.160  -8.428  H352 LP4 69  
LP4 H361 1H36 H 0 0 N N N 3.421  14.585 9.968  -4.992 0.230  -8.028  H361 LP4 70  
LP4 H362 2H36 H 0 0 N N N 4.717  15.712 10.533 -6.088 1.550  -8.422  H362 LP4 71  
LP4 H371 1H37 H 0 0 N N N 3.199  16.646 12.214 -4.866 1.957  -10.543 H371 LP4 72  
LP4 H372 2H37 H 0 0 N N N 2.474  16.761 10.552 -3.794 0.603  -10.203 H372 LP4 73  
LP4 H381 1H38 H 0 0 N N N 0.881  15.132 10.982 -6.834 0.430  -10.578 H381 LP4 74  
LP4 H382 2H38 H 0 0 N N N 1.859  14.423 12.359 -5.792 -0.946 -10.208 H382 LP4 75  
LP4 H391 1H39 H 0 0 N N N 1.200  16.112 13.848 -4.498 -0.528 -12.317 H391 LP4 76  
LP4 H392 2H39 H 0 0 N N N 0.577  17.164 12.507 -5.573 0.818  -12.700 H392 LP4 77  
LP4 H401 1H40 H 0 0 N N N -1.209 16.047 13.890 -6.438 -2.105 -12.355 H401 LP4 78  
LP4 H402 2H40 H 0 0 N N N -1.268 15.688 12.113 -7.532 -0.764 -12.700 H402 LP4 79  
LP4 H411 1H41 H 0 0 N N N -0.638 13.495 12.394 -5.225 -1.674 -14.501 H411 LP4 80  
LP4 H412 2H41 H 0 0 N N N 0.260  13.828 13.914 -6.325 -0.326 -14.849 H412 LP4 81  
LP4 H413 3H41 H 0 0 N N N -1.535 13.760 13.927 -6.949 -1.983 -14.772 H413 LP4 82  
LP4 H2   H2   H 0 1 N N N -0.589 9.738  18.320 1.767  -0.466 -1.606  H2   LP4 83  
LP4 H11  1H1  H 0 1 N N N -2.698 10.081 19.591 -0.001 0.018  -0.002  H11  LP4 84  
LP4 H12  2H1  H 0 1 N N N -3.656 9.883  18.083 1.230  -0.943 0.815   H12  LP4 85  
LP4 HN2  HN2  H 0 1 N N N -2.577 11.697 17.102 3.644  0.167  0.536   HN2  LP4 86  
LP4 H81  1H8  H 0 1 N N N -0.775 13.928 16.354 5.987  0.232  -0.286  H81  LP4 87  
LP4 H82  2H8  H 0 1 N N N -2.186 13.885 17.469 5.494  -1.397 0.233   H82  LP4 88  
LP4 H16  H16  H 0 1 N N N 0.596  14.263 18.630 6.840  -0.702 -2.441  H16  LP4 89  
LP4 HO44 HO44 H 0 0 N N N -0.681 14.884 20.260 6.099  -2.503 -3.030  HO44 LP4 90  
LP4 H171 1H17 H 0 0 N N N 0.607  15.864 16.846 7.856  -2.268 -0.008  H171 LP4 91  
LP4 H172 2H17 H 0 0 N N N -1.100 16.377 17.268 8.374  -0.636 -0.427  H172 LP4 92  
LP4 H181 1H18 H 0 0 N N N -0.427 17.734 18.907 9.289  -1.574 -2.610  H181 LP4 93  
LP4 H182 2H18 H 0 0 N N N 0.882  16.586 19.444 8.777  -3.170 -2.080  H182 LP4 94  
LP4 H191 1H19 H 0 0 N N N 1.407  17.832 16.839 10.843 -1.413 -0.653  H191 LP4 95  
LP4 H192 2H19 H 0 0 N N N 2.450  17.675 18.320 10.273 -2.981 -0.074  H192 LP4 96  
LP4 H201 1H20 H 0 0 N N N 0.717  19.910 17.403 11.684 -2.441 -2.741  H201 LP4 97  
LP4 H202 2H20 H 0 0 N N N 0.692  19.519 19.179 11.087 -4.015 -2.247  H202 LP4 98  
LP4 H211 1H21 H 0 0 N N N 3.374  19.444 18.615 13.217 -2.358 -0.800  H211 LP4 99  
LP4 H212 2H21 H 0 0 N N N 2.470  20.873 19.281 12.644 -3.919 -0.256  H212 LP4 100 
LP4 H221 1H22 H 0 0 N N N 3.337  21.985 17.518 14.128 -3.417 -2.877  H221 LP4 101 
LP4 H222 2H22 H 0 0 N N N 2.065  21.143 16.570 13.478 -4.962 -2.373  H222 LP4 102 
LP4 H231 1H23 H 0 0 N N N 3.607  19.312 16.065 15.009 -4.887 -0.340  H231 LP4 103 
LP4 H232 2H23 H 0 0 N N N 4.893  20.142 17.084 15.663 -3.382 -0.959  H232 LP4 104 
LP4 H241 1H24 H 0 0 N N N 5.506  20.590 14.875 16.399 -4.562 -3.056  H241 LP4 105 
LP4 H242 2H24 H 0 0 N N N 4.646  22.084 15.451 15.795 -6.083 -2.391  H242 LP4 106 
LP4 H251 1H25 H 0 0 N N N 3.802  21.738 13.301 17.971 -4.330 -1.142  H251 LP4 107 
LP4 H252 2H25 H 0 0 N N N 2.553  21.000 14.420 17.351 -5.812 -0.422  H252 LP4 108 
LP4 H261 1H26 H 0 0 N N N 4.068  18.821 13.901 18.789 -5.557 -3.105  H261 LP4 109 
LP4 H262 2H26 H 0 0 N N N 4.310  19.699 12.374 18.148 -7.073 -2.479  H262 LP4 110 
LP4 H271 1H27 H 0 0 N N N 1.608  19.153 13.718 19.736 -6.985 -0.569  H271 LP4 111 
LP4 H272 2H27 H 0 0 N N N 1.850  20.024 12.166 20.303 -5.385 -1.091  H272 LP4 112 
LP4 H273 3H27 H 0 0 N N N 2.264  18.281 12.291 20.607 -6.813 -2.096  H273 LP4 113 
# 
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 
LP4 O48 P45  DOUB N N 1   
LP4 P45 O47  SING N N 2   
LP4 P45 O4   SING N N 3   
LP4 P45 O46  SING N N 4   
LP4 O46 HO46 SING N N 5   
LP4 O47 HO47 SING N N 6   
LP4 O4  C4   SING N N 7   
LP4 C4  C3   SING N N 8   
LP4 C4  C5   SING N N 9   
LP4 C4  H4   SING N N 10  
LP4 C5  C6   SING N N 11  
LP4 C5  O5   SING N N 12  
LP4 C5  H5   SING N N 13  
LP4 O5  C1   SING N N 14  
LP4 C6  O6   SING N N 15  
LP4 C6  H61  SING N N 16  
LP4 C6  H62  SING N N 17  
LP4 O6  HO6  SING N N 18  
LP4 C3  O3   SING N N 19  
LP4 C3  C2   SING N N 20  
LP4 C3  H3   SING N N 21  
LP4 O3  C28  SING N N 22  
LP4 C28 C29  SING N N 23  
LP4 C28 O42  DOUB N N 24  
LP4 C29 C30  SING N N 25  
LP4 C29 H291 SING N N 26  
LP4 C29 H292 SING N N 27  
LP4 C30 C31  SING N N 28  
LP4 C30 O43  SING N N 29  
LP4 C30 H30  SING N N 30  
LP4 O43 HO43 SING N N 31  
LP4 C31 C32  SING N N 32  
LP4 C31 H311 SING N N 33  
LP4 C31 H312 SING N N 34  
LP4 C32 C33  SING N N 35  
LP4 C32 H321 SING N N 36  
LP4 C32 H322 SING N N 37  
LP4 C33 C34  SING N N 38  
LP4 C33 H331 SING N N 39  
LP4 C33 H332 SING N N 40  
LP4 C34 C35  SING N N 41  
LP4 C34 H341 SING N N 42  
LP4 C34 H342 SING N N 43  
LP4 C35 C36  SING N N 44  
LP4 C35 H351 SING N N 45  
LP4 C35 H352 SING N N 46  
LP4 C36 C37  SING N N 47  
LP4 C36 H361 SING N N 48  
LP4 C36 H362 SING N N 49  
LP4 C37 C38  SING N N 50  
LP4 C37 H371 SING N N 51  
LP4 C37 H372 SING N N 52  
LP4 C38 C39  SING N N 53  
LP4 C38 H381 SING N N 54  
LP4 C38 H382 SING N N 55  
LP4 C39 C40  SING N N 56  
LP4 C39 H391 SING N N 57  
LP4 C39 H392 SING N N 58  
LP4 C40 C41  SING N N 59  
LP4 C40 H401 SING N N 60  
LP4 C40 H402 SING N N 61  
LP4 C41 H411 SING N N 62  
LP4 C41 H412 SING N N 63  
LP4 C41 H413 SING N N 64  
LP4 C2  N2   SING N N 65  
LP4 C2  C1   SING N N 66  
LP4 C2  H2   SING N N 67  
LP4 C1  H11  SING N N 68  
LP4 C1  H12  SING N N 69  
LP4 N2  C7   SING N N 70  
LP4 N2  HN2  SING N N 71  
LP4 C7  C8   SING N N 72  
LP4 C7  O7   DOUB N N 73  
LP4 C8  C16  SING N N 74  
LP4 C8  H81  SING N N 75  
LP4 C8  H82  SING N N 76  
LP4 C16 C17  SING N N 77  
LP4 C16 O44  SING N N 78  
LP4 C16 H16  SING N N 79  
LP4 O44 HO44 SING N N 80  
LP4 C17 C18  SING N N 81  
LP4 C17 H171 SING N N 82  
LP4 C17 H172 SING N N 83  
LP4 C18 C19  SING N N 84  
LP4 C18 H181 SING N N 85  
LP4 C18 H182 SING N N 86  
LP4 C19 C20  SING N N 87  
LP4 C19 H191 SING N N 88  
LP4 C19 H192 SING N N 89  
LP4 C20 C21  SING N N 90  
LP4 C20 H201 SING N N 91  
LP4 C20 H202 SING N N 92  
LP4 C21 C22  SING N N 93  
LP4 C21 H211 SING N N 94  
LP4 C21 H212 SING N N 95  
LP4 C22 C23  SING N N 96  
LP4 C22 H221 SING N N 97  
LP4 C22 H222 SING N N 98  
LP4 C23 C24  SING N N 99  
LP4 C23 H231 SING N N 100 
LP4 C23 H232 SING N N 101 
LP4 C24 C25  SING N N 102 
LP4 C24 H241 SING N N 103 
LP4 C24 H242 SING N N 104 
LP4 C25 C26  SING N N 105 
LP4 C25 H251 SING N N 106 
LP4 C25 H252 SING N N 107 
LP4 C26 C27  SING N N 108 
LP4 C26 H261 SING N N 109 
LP4 C26 H262 SING N N 110 
LP4 C27 H271 SING N N 111 
LP4 C27 H272 SING N N 112 
LP4 C27 H273 SING N N 113 
# 
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 
LP4 SMILES           ACDLabs              10.04 O=C(NC1C(OC(=O)CC(O)CCCCCCCCCCC)C(OP(=O)(O)O)C(OC1)CO)CC(O)CCCCCCCCCCC 
LP4 InChI            InChI                1.02b 
;InChI=1/C34H66NO11P/c1-3-5-7-9-11-13-15-17-19-21-27(37)23-31(39)35-29-26-44-30(25-36)34(46-47(41,42)43)33(29)45-32(40)24-28(38)22-20-18-16-14-12-10-8-6-4-2/h27-30,33-34,36-38H,3-26H2,1-2H3,(H,35,39)(H2,41,42,43)/t27-,28-,29+,30-,33-,34-/m1/s1/f/h35,41-42H
;
LP4 InChIKey         InChI                1.02b BOSWTXXZAVRVQT-KBYBRGMFDP 
LP4 SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O[P](O)(O)=O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC 
LP4 SMILES           CACTVS               3.341 CCCCCCCCCCC[CH](O)CC(=O)N[CH]1CO[CH](CO)[CH](O[P](O)(O)=O)[CH]1OC(=O)C[CH](O)CCCCCCCCCCC 
LP4 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCC[C@H](CC(=O)N[C@H]1CO[C@@H]([C@H]([C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)O)OP(=O)(O)O)CO)O 
LP4 SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCC(CC(=O)NC1COC(C(C1OC(=O)CC(CCCCCCCCCCC)O)OP(=O)(O)O)CO)O 
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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 
LP4 "SYSTEMATIC NAME" ACDLabs              10.04 1,5-anhydro-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-D-glucitol            
LP4 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R,3S,4R,5S)-2-(hydroxymethyl)-5-[[(3R)-3-hydroxytetradecanoyl]amino]-3-phosphonooxy-oxan-4-yl] (3R)-3-hydroxytetradecanoate" 
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