data_SLF
# 
_chem_comp.id                                    SLF 
_chem_comp.name                                  SULFATE-3-D-GALACTOSYL-BETA-1-1-N-STEAROYL-D-SPHINGOSINE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C42 H81 N O11 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2003-03-20 
_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                        808.158 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     SLF 
_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        1ONQ 
_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 
SLF C35  C35  C 0 1 N N N 24.104 -19.029 58.804 5.926   0.035  19.243 C35  SLF 1   
SLF C34  C34  C 0 1 N N N 23.079 -17.946 59.134 5.365   0.817  18.053 C34  SLF 2   
SLF C33  C33  C 0 1 N N N 21.968 -18.429 60.085 5.324   -0.089 16.821 C33  SLF 3   
SLF C32  C32  C 0 1 N N N 21.150 -17.301 60.733 4.763   0.692  15.632 C32  SLF 4   
SLF C31  C31  C 0 1 N N N 21.970 -16.570 61.786 4.722   -0.213 14.400 C31  SLF 5   
SLF C30  C30  C 0 1 N N N 21.240 -15.885 62.934 4.160   0.568  13.210 C30  SLF 6   
SLF C29  C29  C 0 1 N N N 22.283 -15.414 63.950 4.119   -0.337 11.978 C29  SLF 7   
SLF C28  C28  C 0 1 N N N 21.780 -15.196 65.370 3.558   0.444  10.789 C28  SLF 8   
SLF C27  C27  C 0 1 N N N 21.530 -13.724 65.675 3.517   -0.461 9.556  C27  SLF 9   
SLF C26  C26  C 0 1 N N N 22.784 -12.906 65.994 2.955   0.320  8.367  C26  SLF 10  
SLF C25  C25  C 0 1 N N N 22.428 -11.416 66.188 2.914   -0.586 7.135  C25  SLF 11  
SLF C24  C24  C 0 1 N N N 22.442 -10.621 64.869 2.353   0.195  5.945  C24  SLF 12  
SLF C23  C23  C 0 1 N N N 22.135 -9.126  65.032 2.312   -0.710 4.713  C23  SLF 13  
SLF C22  C22  C 0 1 N N N 23.358 -8.244  64.803 1.751   0.071  3.524  C22  SLF 14  
SLF C21  C21  C 0 1 N N N 24.312 -8.482  65.949 1.710   -0.834 2.292  C21  SLF 15  
SLF C20  C20  C 0 1 N N N 25.700 -7.864  65.805 1.148   -0.052 1.102  C20  SLF 16  
SLF C19  C19  C 0 1 N N N 26.493 -8.055  67.098 1.107   -0.958 -0.129 C19  SLF 17  
SLF C18  C18  C 0 1 N N N 26.962 -9.480  67.103 0.554   -0.188 -1.301 C18  SLF 18  
SLF O2   O2   O 0 1 N N N 28.141 -9.727  66.941 0.225   0.970  -1.163 O2   SLF 19  
SLF N    N    N 0 1 N N N 26.000 -10.395 67.286 0.425   -0.788 -2.501 N    SLF 20  
SLF C1   C1   C 0 1 N N S 26.135 -11.838 67.323 -0.111  -0.039 -3.639 C1   SLF 21  
SLF C    C    C 0 1 N N N 26.654 -12.492 66.023 1.035   0.641  -4.389 C    SLF 22  
SLF O    O    O 0 1 N N N 25.828 -13.535 65.447 1.899   -0.353 -4.942 O    SLF 23  
SLF C36  C36  C 0 1 N N R 25.924 -13.886 64.016 2.944   0.341  -5.626 C36  SLF 24  
SLF O8   O8   O 0 1 N N N 25.549 -15.262 63.766 2.380   1.153  -6.653 O8   SLF 25  
SLF C40  C40  C 0 1 N N R 25.578 -15.647 62.365 3.426   1.961  -7.188 C40  SLF 26  
SLF C41  C41  C 0 1 N N N 25.359 -17.131 62.080 2.834   2.983  -8.161 C41  SLF 27  
SLF O9   O9   O 0 1 N N N 24.220 -17.576 62.754 1.897   3.811  -7.469 O9   SLF 28  
SLF C39  C39  C 0 1 N N S 26.904 -15.401 61.669 4.434   1.080  -7.930 C39  SLF 29  
SLF O7   O7   O 0 1 N N N 27.910 -16.277 62.170 3.769   0.371  -8.978 O7   SLF 30  
SLF C38  C38  C 0 1 N N S 27.311 -13.964 61.844 5.047   0.082  -6.941 C38  SLF 31  
SLF O5   O5   O 0 1 N N N 28.590 -13.826 61.184 5.878   -0.842 -7.646 O5   SLF 32  
SLF S    S    S 0 1 N N N 28.750 -13.596 59.543 7.309   -0.342 -7.506 S    SLF 33  
SLF O6   O6   O 0 1 N N N 30.182 -13.729 59.141 7.741   -0.597 -6.069 O6   SLF 34  
SLF O12  O12  O 0 1 N N N 28.295 -12.208 59.262 8.100   -1.210 -8.307 O12  SLF 35  
SLF O13  O13  O 0 1 N N N 27.945 -14.544 58.722 7.240   1.069  -7.644 O13  SLF 36  
SLF C37  C37  C 0 1 N N R 27.301 -13.695 63.365 3.911   -0.672 -6.241 C37  SLF 37  
SLF O4   O4   O 0 1 N N N 27.642 -12.359 63.575 4.453   -1.502 -5.211 O4   SLF 38  
SLF C2   C2   C 0 1 N N R 26.955 -12.061 68.582 -0.839  -0.999 -4.583 C2   SLF 39  
SLF O1   O1   O 0 1 N N N 26.929 -13.462 68.782 -1.303  -0.281 -5.728 O1   SLF 40  
SLF C3   C3   C 0 1 N N N 26.314 -11.301 69.746 -2.013  -1.615 -3.866 C3   SLF 41  
SLF C4   C4   C 0 1 N N N 26.871 -10.212 70.304 -3.227  -1.441 -4.328 C4   SLF 42  
SLF C5   C5   C 0 1 N N N 26.169 -9.509  71.464 -4.401  -2.057 -3.611 C5   SLF 43  
SLF C6   C6   C 0 1 N N N 26.585 -8.043  71.646 -5.362  -0.953 -3.166 C6   SLF 44  
SLF C7   C7   C 0 1 N N N 28.005 -7.816  72.196 -6.554  -1.578 -2.438 C7   SLF 45  
SLF C8   C8   C 0 1 N N N 28.209 -6.336  72.599 -7.515  -0.474 -1.992 C8   SLF 46  
SLF C9   C9   C 0 1 N N N 29.685 -5.874  72.700 -8.707  -1.099 -1.265 C9   SLF 47  
SLF C10  C10  C 0 1 N N N 29.860 -4.411  73.171 -9.668  0.004  -0.819 C10  SLF 48  
SLF C11  C11  C 0 1 N N N 29.854 -3.386  72.016 -10.860 -0.620 -0.091 C11  SLF 49  
SLF C12  C12  C 0 1 N N N 29.034 -2.125  72.314 -11.822 0.483  0.353  C12  SLF 50  
SLF C13  C13  C 0 1 N N N 28.509 -1.364  71.099 -13.014 -0.141 1.081  C13  SLF 51  
SLF C14  C14  C 0 1 N N N 26.973 -1.392  70.958 -13.975 0.961  1.526  C14  SLF 52  
SLF C15  C15  C 0 1 N N N 26.425 -0.801  69.651 -15.167 0.336  2.254  C15  SLF 53  
SLF C16  C16  C 0 1 N N N 25.079 -1.432  69.284 -16.128 1.440  2.700  C16  SLF 54  
SLF C17  C17  C 0 1 N N N 24.108 -0.553  68.516 -17.320 0.815  3.428  C17  SLF 55  
SLF H351 1H35 H 0 0 N N N 24.908 -18.679 58.115 5.956   0.680  20.121 H351 SLF 56  
SLF H352 2H35 H 0 0 N N N 24.539 -19.459 59.735 5.289   -0.825 19.446 H352 SLF 57  
SLF H353 3H35 H 0 0 N N N 23.602 -19.938 58.398 6.935   -0.306 19.009 H353 SLF 58  
SLF H341 1H34 H 0 0 N N N 23.580 -17.036 59.539 4.357   1.158  18.287 H341 SLF 59  
SLF H342 2H34 H 0 0 N N N 22.643 -17.515 58.202 6.003   1.677  17.851 H342 SLF 60  
SLF H331 1H33 H 0 0 N N N 21.293 -19.146 59.561 6.332   -0.431 16.588 H331 SLF 61  
SLF H332 2H33 H 0 0 N N N 22.391 -19.100 60.867 4.686   -0.949 17.024 H332 SLF 62  
SLF H321 1H32 H 0 0 N N N 20.740 -16.598 59.969 3.754   1.034  15.865 H321 SLF 63  
SLF H322 2H32 H 0 0 N N N 20.187 -17.678 61.149 5.400   1.553  15.429 H322 SLF 64  
SLF H311 1H31 H 0 0 N N N 22.726 -17.272 62.206 5.730   -0.555 14.166 H311 SLF 65  
SLF H312 2H31 H 0 0 N N N 22.626 -15.824 61.279 4.084   -1.073 14.602 H312 SLF 66  
SLF H301 1H30 H 0 0 N N N 20.573 -15.060 62.588 3.152   0.910  13.444 H301 SLF 67  
SLF H302 2H30 H 0 0 N N N 20.455 -16.531 63.391 4.798   1.428  13.007 H302 SLF 68  
SLF H291 1H29 H 0 0 N N N 23.147 -16.117 63.958 5.128   -0.679 11.745 H291 SLF 69  
SLF H292 2H29 H 0 0 N N N 22.781 -14.488 63.578 3.482   -1.198 12.181 H292 SLF 70  
SLF H281 1H28 H 0 0 N N N 20.871 -15.809 65.574 2.549   0.786  11.022 H281 SLF 71  
SLF H282 2H28 H 0 0 N N N 22.472 -15.650 66.116 4.195   1.304  10.586 H282 SLF 72  
SLF H271 1H27 H 0 0 N N N 20.963 -13.249 64.840 4.525   -0.803 9.323  H271 SLF 73  
SLF H272 2H27 H 0 0 N N N 20.785 -13.623 66.498 2.879   -1.322 9.759  H272 SLF 74  
SLF H261 1H26 H 0 0 N N N 23.333 -13.317 66.872 1.947   0.661  8.600  H261 SLF 75  
SLF H262 2H26 H 0 0 N N N 23.575 -13.044 65.221 3.593   1.180  8.164  H262 SLF 76  
SLF H251 1H25 H 0 0 N N N 21.449 -11.304 66.710 3.923   -0.928 6.902  H251 SLF 77  
SLF H252 2H25 H 0 0 N N N 23.093 -10.942 66.946 2.277   -1.446 7.338  H252 SLF 78  
SLF H241 1H24 H 0 0 N N N 23.411 -10.764 64.337 1.345   0.537  6.179  H241 SLF 79  
SLF H242 2H24 H 0 0 N N N 21.749 -11.083 64.127 2.991   1.056  5.743  H242 SLF 80  
SLF H231 1H23 H 0 0 N N N 21.290 -8.817  64.372 3.320   -1.052 4.480  H231 SLF 81  
SLF H232 2H23 H 0 0 N N N 21.673 -8.918  66.025 1.674   -1.570 4.916  H232 SLF 82  
SLF H221 1H22 H 0 0 N N N 23.828 -8.405  63.805 0.742   0.413  3.757  H221 SLF 83  
SLF H222 2H22 H 0 0 N N N 23.098 -7.167  64.670 2.388   0.931  3.321  H222 SLF 84  
SLF H211 1H21 H 0 0 N N N 23.846 -8.146  66.904 2.718   -1.176 2.058  H211 SLF 85  
SLF H212 2H21 H 0 0 N N N 24.403 -9.576  66.143 1.072   -1.695 2.494  H212 SLF 86  
SLF H201 1H20 H 0 0 N N N 26.245 -8.262  64.917 0.140   0.289  1.336  H201 SLF 87  
SLF H202 2H20 H 0 0 N N N 25.651 -6.793  65.498 1.786   0.807  0.900  H202 SLF 88  
SLF H191 1H19 H 0 0 N N N 27.320 -7.317  67.221 2.116   -1.300 -0.362 H191 SLF 89  
SLF H192 2H19 H 0 0 N N N 25.920 -7.775  68.012 0.470   -1.819 0.073  H192 SLF 90  
SLF HN   HN   H 0 1 N N N 25.087 -9.955  67.407 0.688   -1.715 -2.610 HN   SLF 91  
SLF H1   H1   H 0 1 N N N 25.156 -12.369 67.370 -0.810  0.715  -3.280 H1   SLF 92  
SLF H1A  1H   H 0 1 N N N 26.848 -11.703 65.259 0.629   1.256  -5.192 H1A  SLF 93  
SLF H2A  2H   H 0 1 N N N 27.687 -12.878 66.184 1.598   1.269  -3.699 H2A  SLF 94  
SLF H36  H36  H 0 1 N N N 25.215 -13.158 63.555 3.482   0.972  -4.919 H36  SLF 95  
SLF H40  H40  H 0 1 N N N 24.744 -15.007 61.991 3.931   2.484  -6.376 H40  SLF 96  
SLF H411 1H41 H 0 0 N N N 25.311 -17.346 60.987 3.633   3.601  -8.570 H411 SLF 97  
SLF H412 2H41 H 0 0 N N N 26.258 -17.743 62.325 2.326   2.460  -8.972 H412 SLF 98  
SLF HO9  HO9  H 0 1 N N N 24.083 -18.499 62.576 1.548   4.439  -8.116 HO9  SLF 99  
SLF H39  H39  H 0 1 N N N 26.783 -15.611 60.580 5.221   1.704  -8.354 H39  SLF 100 
SLF HO7  HO7  H 0 1 N N N 28.740 -16.123 61.734 3.394   1.036  -9.571 HO7  SLF 101 
SLF H38  H38  H 0 1 N N N 26.636 -13.202 61.386 5.642   0.618  -6.202 H38  SLF 102 
SLF HO6  HO6  H 0 1 N N N 30.273 -13.597 58.204 8.650   -0.277 -5.990 HO6  SLF 103 
SLF H37  H37  H 0 1 N N N 28.014 -14.422 63.817 3.382   -1.290 -6.966 H37  SLF 104 
SLF HO4  HO4  H 0 1 N N N 28.494 -12.240 63.172 3.706   -1.957 -4.798 HO4  SLF 105 
SLF H2   H2   H 0 1 N N N 28.003 -11.689 68.503 -0.154  -1.786 -4.900 H2   SLF 106 
SLF HO1  HO1  H 0 1 N N N 27.441 -13.601 69.569 -1.828  0.460  -5.398 HO1  SLF 107 
SLF H3   H3   H 0 1 N N N 25.358 -11.563 70.229 -1.854  -2.199 -2.972 H3   SLF 108 
SLF H4   H4   H 0 1 N N N 27.830 -9.918  69.845 -3.386  -0.857 -5.222 H4   SLF 109 
SLF H51  1H5  H 0 1 N N N 25.061 -9.592  71.360 -4.919  -2.741 -4.283 H51  SLF 110 
SLF H52  2H5  H 0 1 N N N 26.312 -10.078 72.412 -4.047  -2.605 -2.738 H52  SLF 111 
SLF H61  1H6  H 0 1 N N N 26.455 -7.488  70.687 -4.844  -0.269 -2.493 H61  SLF 112 
SLF H62  2H6  H 0 1 N N N 25.840 -7.512  72.284 -5.716  -0.405 -4.039 H62  SLF 113 
SLF H71  1H7  H 0 1 N N N 28.236 -8.508  73.038 -7.072  -2.262 -3.110 H71  SLF 114 
SLF H72  2H7  H 0 1 N N N 28.785 -8.159  71.477 -6.200  -2.126 -1.564 H72  SLF 115 
SLF H81  1H8  H 0 1 N N N 27.645 -5.669  71.905 -6.997  0.209  -1.320 H81  SLF 116 
SLF H82  2H8  H 0 1 N N N 27.674 -6.122  73.554 -7.869  0.073  -2.866 H82  SLF 117 
SLF H91  1H9  H 0 1 N N N 30.266 -6.566  73.352 -9.225  -1.783 -1.937 H91  SLF 118 
SLF H92  2H9  H 0 1 N N N 30.212 -6.038  71.731 -8.353  -1.647 -0.391 H92  SLF 119 
SLF H101 1H10 H 0 0 N N N 29.092 -4.148  73.935 -9.150  0.687  -0.147 H101 SLF 120 
SLF H102 2H10 H 0 0 N N N 30.781 -4.303  73.789 -10.023 0.551  -1.692 H102 SLF 121 
SLF H111 1H11 H 0 0 N N N 30.895 -3.117  71.723 -11.379 -1.304 -0.764 H111 SLF 122 
SLF H112 2H11 H 0 0 N N N 29.510 -3.863  71.068 -10.506 -1.168 0.781  H112 SLF 123 
SLF H121 1H12 H 0 0 N N N 28.189 -2.376  72.996 -11.303 1.166  1.025  H121 SLF 124 
SLF H122 2H12 H 0 0 N N N 29.621 -1.437  72.966 -12.176 1.030  -0.519 H122 SLF 125 
SLF H131 1H13 H 0 0 N N N 28.882 -0.313  71.103 -13.532 -0.825 0.409  H131 SLF 126 
SLF H132 2H13 H 0 0 N N N 28.994 -1.733  70.165 -12.660 -0.689 1.954  H132 SLF 127 
SLF H141 1H14 H 0 0 N N N 26.594 -2.431  71.097 -13.457 1.645  2.199  H141 SLF 128 
SLF H142 2H14 H 0 0 N N N 26.498 -0.891  71.833 -14.329 1.509  0.653  H142 SLF 129 
SLF H151 1H15 H 0 0 N N N 26.358 0.311   69.699 -15.685 -0.346 1.582  H151 SLF 130 
SLF H152 2H15 H 0 0 N N N 27.161 -0.890  68.818 -14.813 -0.210 3.128  H152 SLF 131 
SLF H161 1H16 H 0 0 N N N 25.249 -2.381  68.724 -15.610 2.124  3.372  H161 SLF 132 
SLF H162 2H16 H 0 0 N N N 24.584 -1.823  70.203 -16.482 1.988  1.826  H162 SLF 133 
SLF H171 1H17 H 0 0 N N N 23.127 -1.012  68.248 -18.005 1.602  3.745  H171 SLF 134 
SLF H172 2H17 H 0 0 N N N 23.937 0.396   69.075 -17.839 0.132  2.755  H172 SLF 135 
SLF H173 3H17 H 0 0 N N N 24.602 -0.161  67.596 -16.966 0.268  4.301  H173 SLF 136 
# 
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 
SLF C35 C34  SING N N 1   
SLF C35 H351 SING N N 2   
SLF C35 H352 SING N N 3   
SLF C35 H353 SING N N 4   
SLF C34 C33  SING N N 5   
SLF C34 H341 SING N N 6   
SLF C34 H342 SING N N 7   
SLF C33 C32  SING N N 8   
SLF C33 H331 SING N N 9   
SLF C33 H332 SING N N 10  
SLF C32 C31  SING N N 11  
SLF C32 H321 SING N N 12  
SLF C32 H322 SING N N 13  
SLF C31 C30  SING N N 14  
SLF C31 H311 SING N N 15  
SLF C31 H312 SING N N 16  
SLF C30 C29  SING N N 17  
SLF C30 H301 SING N N 18  
SLF C30 H302 SING N N 19  
SLF C29 C28  SING N N 20  
SLF C29 H291 SING N N 21  
SLF C29 H292 SING N N 22  
SLF C28 C27  SING N N 23  
SLF C28 H281 SING N N 24  
SLF C28 H282 SING N N 25  
SLF C27 C26  SING N N 26  
SLF C27 H271 SING N N 27  
SLF C27 H272 SING N N 28  
SLF C26 C25  SING N N 29  
SLF C26 H261 SING N N 30  
SLF C26 H262 SING N N 31  
SLF C25 C24  SING N N 32  
SLF C25 H251 SING N N 33  
SLF C25 H252 SING N N 34  
SLF C24 C23  SING N N 35  
SLF C24 H241 SING N N 36  
SLF C24 H242 SING N N 37  
SLF C23 C22  SING N N 38  
SLF C23 H231 SING N N 39  
SLF C23 H232 SING N N 40  
SLF C22 C21  SING N N 41  
SLF C22 H221 SING N N 42  
SLF C22 H222 SING N N 43  
SLF C21 C20  SING N N 44  
SLF C21 H211 SING N N 45  
SLF C21 H212 SING N N 46  
SLF C20 C19  SING N N 47  
SLF C20 H201 SING N N 48  
SLF C20 H202 SING N N 49  
SLF C19 C18  SING N N 50  
SLF C19 H191 SING N N 51  
SLF C19 H192 SING N N 52  
SLF C18 O2   DOUB N N 53  
SLF C18 N    SING N N 54  
SLF N   C1   SING N N 55  
SLF N   HN   SING N N 56  
SLF C1  C    SING N N 57  
SLF C1  C2   SING N N 58  
SLF C1  H1   SING N N 59  
SLF C   O    SING N N 60  
SLF C   H1A  SING N N 61  
SLF C   H2A  SING N N 62  
SLF O   C36  SING N N 63  
SLF C36 O8   SING N N 64  
SLF C36 C37  SING N N 65  
SLF C36 H36  SING N N 66  
SLF O8  C40  SING N N 67  
SLF C40 C41  SING N N 68  
SLF C40 C39  SING N N 69  
SLF C40 H40  SING N N 70  
SLF C41 O9   SING N N 71  
SLF C41 H411 SING N N 72  
SLF C41 H412 SING N N 73  
SLF O9  HO9  SING N N 74  
SLF C39 O7   SING N N 75  
SLF C39 C38  SING N N 76  
SLF C39 H39  SING N N 77  
SLF O7  HO7  SING N N 78  
SLF C38 O5   SING N N 79  
SLF C38 C37  SING N N 80  
SLF C38 H38  SING N N 81  
SLF O5  S    SING N N 82  
SLF S   O6   SING N N 83  
SLF S   O12  DOUB N N 84  
SLF S   O13  DOUB N N 85  
SLF O6  HO6  SING N N 86  
SLF C37 O4   SING N N 87  
SLF C37 H37  SING N N 88  
SLF O4  HO4  SING N N 89  
SLF C2  O1   SING N N 90  
SLF C2  C3   SING N N 91  
SLF C2  H2   SING N N 92  
SLF O1  HO1  SING N N 93  
SLF C3  C4   DOUB N E 94  
SLF C3  H3   SING N N 95  
SLF C4  C5   SING N N 96  
SLF C4  H4   SING N N 97  
SLF C5  C6   SING N N 98  
SLF C5  H51  SING N N 99  
SLF C5  H52  SING N N 100 
SLF C6  C7   SING N N 101 
SLF C6  H61  SING N N 102 
SLF C6  H62  SING N N 103 
SLF C7  C8   SING N N 104 
SLF C7  H71  SING N N 105 
SLF C7  H72  SING N N 106 
SLF C8  C9   SING N N 107 
SLF C8  H81  SING N N 108 
SLF C8  H82  SING N N 109 
SLF C9  C10  SING N N 110 
SLF C9  H91  SING N N 111 
SLF C9  H92  SING N N 112 
SLF C10 C11  SING N N 113 
SLF C10 H101 SING N N 114 
SLF C10 H102 SING N N 115 
SLF C11 C12  SING N N 116 
SLF C11 H111 SING N N 117 
SLF C11 H112 SING N N 118 
SLF C12 C13  SING N N 119 
SLF C12 H121 SING N N 120 
SLF C12 H122 SING N N 121 
SLF C13 C14  SING N N 122 
SLF C13 H131 SING N N 123 
SLF C13 H132 SING N N 124 
SLF C14 C15  SING N N 125 
SLF C14 H141 SING N N 126 
SLF C14 H142 SING N N 127 
SLF C15 C16  SING N N 128 
SLF C15 H151 SING N N 129 
SLF C15 H152 SING N N 130 
SLF C16 C17  SING N N 131 
SLF C16 H161 SING N N 132 
SLF C16 H162 SING N N 133 
SLF C17 H171 SING N N 134 
SLF C17 H172 SING N N 135 
SLF C17 H173 SING N N 136 
# 
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 
SLF SMILES           ACDLabs              10.04 O=S(=O)(O)OC1C(O)C(OC(OCC(NC(=O)CCCCCCCCCCCCCCCCC)C(O)/C=C/CCCCCCCCCCCCC)C1O)CO 
SLF InChI            InChI                1.02b 
;InChI=1/C42H81NO11S/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-52-42-40(48)41(54-55(49,50)51)39(47)37(33-44)53-42/h29,31,35-37,39-42,44-45,47-48H,3-28,30,32-34H2,1-2H3,(H,43,46)(H,49,50,51)/b31-29+/t35-,36+,37+,39-,40+,41-,42+/m0/s1/f/h43,49H
;
SLF InChIKey         InChI                1.02b GQQZXRPXBDJABR-VBVGYMNWDC 
SLF SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[S](O)(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC 
SLF SMILES           CACTVS               3.341 CCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O)[CH](O)C=CCCCCCCCCCCCCC 
SLF SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](\C=C\CCCCCCCCCCCCC)O 
SLF SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)OS(=O)(=O)O)O)C(C=CCCCCCCCCCCCCC)O 
# 
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 
SLF "SYSTEMATIC NAME" ACDLabs              10.04 N-[(1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]octadecanamide                                 
SLF "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-4-enoxy]oxan-4-yl] hydrogen sulfate" 
# 
