data_GSL
# 
_chem_comp.id                                    GSL 
_chem_comp.name                                  "(2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-D-GALACTOPYRANOSIDURONIC ACID" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C38 H73 N O9" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         (2S,3R)-N-MYRISTOYL-1-O-(ALPHA-D-GALACTURONOSYL)-2-N-OCTADECANE-3-OL 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2005-12-30 
_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                        687.988 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     GSL 
_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        ? 
_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 
GSL C17  C17  C 0 1 N N N 38.877 41.854 15.717 -17.261 -6.410  -1.067 C17  GSL 1   
GSL C16  C16  C 0 1 N N N 38.410 43.242 16.168 -16.508 -5.086  -1.211 C16  GSL 2   
GSL C15  C15  C 0 1 N N N 38.421 43.351 17.698 -15.077 -5.254  -0.696 C15  GSL 3   
GSL C14  C14  C 0 1 N N N 38.006 44.744 18.177 -14.324 -3.930  -0.840 C14  GSL 4   
GSL C13  C13  C 0 1 N N N 38.221 44.895 19.692 -12.893 -4.099  -0.325 C13  GSL 5   
GSL C12  C12  C 0 1 N N N 37.346 45.983 20.329 -12.140 -2.775  -0.469 C12  GSL 6   
GSL C11  C11  C 0 1 N N N 37.457 47.341 19.629 -10.709 -2.943  0.046  C11  GSL 7   
GSL C10  C10  C 0 1 N N N 37.203 48.502 20.589 -9.956  -1.619  -0.098 C10  GSL 8   
GSL C9   C9   C 0 1 N N N 35.950 49.264 20.146 -8.525  -1.788  0.417  C9   GSL 9   
GSL C8   C8   C 0 1 N N N 36.178 50.773 20.134 -7.772  -0.464  0.273  C8   GSL 10  
GSL C7   C7   C 0 1 N N N 34.929 51.497 19.620 -6.341  -0.632  0.787  C7   GSL 11  
GSL C6   C6   C 0 1 N N N 35.115 51.971 18.174 -5.588  0.692   0.644  C6   GSL 12  
GSL C5   C5   C 0 1 N N N 34.530 53.379 17.960 -4.157  0.523   1.158  C5   GSL 13  
GSL C4   C4   C 0 1 N N N 34.720 53.857 16.512 -3.404  1.847   1.014  C4   GSL 14  
GSL C3   C3   C 0 1 N N N 33.588 54.822 16.108 -1.973  1.679   1.529  C3   GSL 15  
GSL C2   C2   C 0 1 N N R 34.032 55.929 15.138 -1.220  3.003   1.385  C2   GSL 16  
GSL O    O    O 0 1 N N N 34.492 55.335 13.918 -1.815  3.984   2.237  O    GSL 17  
GSL C1   C1   C 0 1 N N S 32.851 56.879 14.844 0.244   2.803   1.783  C1   GSL 18  
GSL C    C    C 0 1 N N N 32.984 57.657 13.516 0.985   4.138   1.690  C    GSL 19  
GSL O1   O1   O 0 1 N N N 34.057 58.620 13.550 0.831   4.678   0.375  O1   GSL 20  
GSL C29  C29  C 0 1 N N S 34.029 59.582 12.450 1.541   5.918   0.352  C29  GSL 21  
GSL O3   O3   O 0 1 N N N 32.767 60.312 12.376 2.943   5.662   0.416  O3   GSL 22  
GSL C28  C28  C 0 1 N N S 32.415 61.027 13.627 3.258   4.728   -0.615 C28  GSL 23  
GSL C34  C34  C 0 1 N N N 30.967 61.553 13.486 4.691   4.286   -0.468 C34  GSL 24  
GSL O7   O7   O 0 1 N N N 30.547 61.899 12.345 5.184   3.328   -1.269 O7   GSL 25  
GSL O6   O6   O 0 1 N N N 30.275 61.576 14.535 5.397   4.793   0.371  O6   GSL 26  
GSL C33  C33  C 0 1 N N R 33.514 62.037 14.047 3.067   5.382   -1.985 C33  GSL 27  
GSL O5   O5   O 0 1 N N N 33.444 63.202 13.219 3.906   6.535   -2.085 O5   GSL 28  
GSL C32  C32  C 0 1 N N S 34.932 61.417 13.948 1.600   5.799   -2.139 C32  GSL 29  
GSL O4   O4   O 0 1 N N N 35.950 62.423 14.108 1.437   6.543   -3.348 O4   GSL 30  
GSL C30  C30  C 0 1 N N R 35.124 60.649 12.614 1.210   6.669   -0.940 C30  GSL 31  
GSL O31  O31  O 0 1 N N N 36.414 60.044 12.548 -0.191  6.947   -0.986 O31  GSL 32  
GSL N    N    N 0 1 N N N 32.642 57.812 15.969 0.868   1.834   0.878  N    GSL 33  
GSL C18  C18  C 0 1 N N N 31.417 58.160 16.368 1.937   1.122   1.286  C18  GSL 34  
GSL O2   O2   O 0 1 N N N 30.389 57.740 15.829 2.382   1.283   2.403  O2   GSL 35  
GSL C19  C19  C 0 1 N N N 31.369 59.138 17.564 2.578   0.126   0.355  C19  GSL 36  
GSL C20  C20  C 0 1 N N N 30.341 58.775 18.664 3.762   -0.541  1.059  C20  GSL 37  
GSL C21  C21  C 0 1 N N N 30.279 57.275 18.988 4.414   -1.553  0.114  C21  GSL 38  
GSL C22  C22  C 0 1 N N N 30.262 56.967 20.492 5.597   -2.219  0.818  C22  GSL 39  
GSL C23  C23  C 0 1 N N N 30.988 55.639 20.755 6.249   -3.231  -0.127 C23  GSL 40  
GSL C24  C24  C 0 1 N N N 30.447 54.888 21.975 7.432   -3.897  0.577  C24  GSL 41  
GSL C25  C25  C 0 1 N N N 29.046 54.319 21.718 8.084   -4.909  -0.368 C25  GSL 42  
GSL C26  C26  C 0 1 N N N 28.653 53.292 22.777 9.268   -5.575  0.336  C26  GSL 43  
GSL C27  C27  C 0 1 N N N 27.147 53.369 23.040 9.919   -6.587  -0.609 C27  GSL 44  
GSL C38  C38  C 0 1 N N N 26.571 52.013 23.447 11.103  -7.254  0.095  C38  GSL 45  
GSL C37  C37  C 0 1 N N N 26.264 51.147 22.225 11.754  -8.265  -0.850 C37  GSL 46  
GSL C36  C36  C 0 1 N N N 25.220 51.798 21.322 12.938  -8.932  -0.147 C36  GSL 47  
GSL C35  C35  C 0 1 N N N 24.650 50.771 20.358 13.589  -9.944  -1.092 C35  GSL 48  
GSL H171 1H17 H 0 0 N N N 38.133 41.102 16.018 -17.284 -6.702  -0.017 H171 GSL 49  
GSL H172 2H17 H 0 0 N N N 39.844 41.622 16.187 -18.280 -6.290  -1.434 H172 GSL 50  
GSL H173 3H17 H 0 0 N N N 38.989 41.842 14.623 -16.754 -7.181  -1.647 H173 GSL 51  
GSL H161 1H16 H 0 0 N N N 37.382 43.402 15.810 -16.484 -4.793  -2.261 H161 GSL 52  
GSL H162 2H16 H 0 0 N N N 39.087 44.001 15.750 -17.014 -4.315  -0.630 H162 GSL 53  
GSL H151 1H15 H 0 0 N N N 39.447 43.163 18.046 -15.100 -5.547  0.354  H151 GSL 54  
GSL H152 2H15 H 0 0 N N N 37.715 42.614 18.108 -14.570 -6.025  -1.276 H152 GSL 55  
GSL H141 1H14 H 0 0 N N N 36.937 44.885 17.959 -14.300 -3.638  -1.890 H141 GSL 56  
GSL H142 2H14 H 0 0 N N N 38.613 45.497 17.653 -14.830 -3.159  -0.259 H142 GSL 57  
GSL H131 1H13 H 0 0 N N N 39.270 45.190 19.844 -12.916 -4.391  0.725  H131 GSL 58  
GSL H132 2H13 H 0 0 N N N 37.976 43.935 20.170 -12.386 -4.870  -0.906 H132 GSL 59  
GSL H121 1H12 H 0 0 N N N 37.695 46.119 21.363 -12.116 -2.482  -1.519 H121 GSL 60  
GSL H122 2H12 H 0 0 N N N 36.298 45.655 20.276 -12.646 -2.004  0.111  H122 GSL 61  
GSL H111 1H11 H 0 0 N N N 36.695 47.380 18.837 -10.732 -3.236  1.096  H111 GSL 62  
GSL H112 2H11 H 0 0 N N N 38.472 47.442 19.216 -10.202 -3.714  -0.535 H112 GSL 63  
GSL H101 1H10 H 0 0 N N N 38.068 49.181 20.581 -9.932  -1.327  -1.148 H101 GSL 64  
GSL H102 2H10 H 0 0 N N N 37.054 48.111 21.606 -10.462 -0.848  0.482  H102 GSL 65  
GSL H91  1H9  H 0 1 N N N 35.144 49.045 20.862 -8.548  -2.080  1.466  H91  GSL 66  
GSL H92  2H9  H 0 1 N N N 35.681 48.940 19.130 -8.018  -2.559  -0.164 H92  GSL 67  
GSL H81  1H8  H 0 1 N N N 37.023 51.002 19.468 -7.748  -0.171  -0.777 H81  GSL 68  
GSL H82  2H8  H 0 1 N N N 36.398 51.113 21.157 -8.278  0.307   0.853  H82  GSL 69  
GSL H71  1H7  H 0 1 N N N 34.751 52.378 20.255 -6.365  -0.924  1.837  H71  GSL 70  
GSL H72  2H7  H 0 1 N N N 34.075 50.805 19.660 -5.834  -1.403  0.207  H72  GSL 71  
GSL H61  1H6  H 0 1 N N N 34.585 51.272 17.510 -5.564  0.984   -0.406 H61  GSL 72  
GSL H62  2H6  H 0 1 N N N 36.191 51.996 17.945 -6.094  1.463   1.224  H62  GSL 73  
GSL H51  1H5  H 0 1 N N N 35.059 54.077 18.626 -4.181  0.231   2.208  H51  GSL 74  
GSL H52  2H5  H 0 1 N N N 33.454 53.353 18.186 -3.650  -0.248  0.578  H52  GSL 75  
GSL H41  1H4  H 0 1 N N N 34.699 52.984 15.843 -3.380  2.140   -0.035 H41  GSL 76  
GSL H42  2H4  H 0 1 N N N 35.685 54.379 16.429 -3.910  2.618   1.595  H42  GSL 77  
GSL H31A 1H3  H 0 0 N N N 33.244 55.318 17.027 -1.997  1.387   2.579  H31A GSL 78  
GSL H32A 2H3  H 0 0 N N N 32.799 54.234 15.616 -1.466  0.908   0.949  H32A GSL 79  
GSL H2   H2   H 0 1 N N N 34.848 56.507 15.596 -1.273  3.340   0.350  H2   GSL 80  
GSL HO   HO   H 0 1 N N N 34.594 56.009 13.256 -1.817  3.615   3.130  HO   GSL 81  
GSL H1   H1   H 0 1 N N N 31.969 56.232 14.729 0.295   2.430   2.806  H1   GSL 82  
GSL H1A  1H   H 0 1 N N N 32.044 58.204 13.350 0.571   4.835   2.419  H1A  GSL 83  
GSL H2A  2H   H 0 1 N N N 33.185 56.938 12.708 2.043   3.982   1.896  H2A  GSL 84  
GSL H29  H29  H 0 1 N N N 34.179 58.980 11.542 1.243   6.522   1.209  H29  GSL 85  
GSL H28  H28  H 0 1 N N N 32.402 60.357 14.500 2.602   3.862   -0.532 H28  GSL 86  
GSL HO7  HO7  H 0 1 N N N 29.640 62.174 12.411 6.103   3.044   -1.175 HO7  GSL 87  
GSL H33  H33  H 0 1 N N N 33.334 62.310 15.097 3.328   4.671   -2.768 H33  GSL 88  
GSL HO5  HO5  H 0 1 N N N 33.428 63.979 13.765 4.817   6.228   -1.976 HO5  GSL 89  
GSL H32  H32  H 0 1 N N N 35.032 60.693 14.770 0.969   4.911   -2.168 H32  GSL 90  
GSL HO4  HO4  H 0 1 N N N 36.313 62.645 13.259 1.705   5.961   -4.072 HO4  GSL 91  
GSL H30  H30  H 0 1 N N N 35.044 61.374 11.791 1.769   7.604   -0.971 H30  GSL 92  
GSL H31  H31  H 0 1 N N N 36.655 59.909 11.639 -0.393  7.495   -0.216 H31  GSL 93  
GSL HN   HN   H 0 1 N N N 33.437 58.192 16.443 0.511   1.705   -0.015 HN   GSL 94  
GSL H191 1H19 H 0 0 N N N 31.059 60.112 17.157 1.848   -0.633  0.076  H191 GSL 95  
GSL H192 2H19 H 0 0 N N N 32.366 59.147 18.028 2.930   0.639   -0.540 H192 GSL 96  
GSL H201 1H20 H 0 0 N N N 29.349 59.063 18.285 4.493   0.218   1.339  H201 GSL 97  
GSL H202 2H20 H 0 0 N N N 30.623 59.310 19.583 3.411   -1.054  1.954  H202 GSL 98  
GSL H211 1H21 H 0 0 N N N 31.190 56.817 18.575 3.683   -2.311  -0.165 H211 GSL 99  
GSL H212 2H21 H 0 0 N N N 29.357 56.868 18.546 4.765   -1.040  -0.781 H212 GSL 100 
GSL H221 1H22 H 0 0 N N N 29.220 56.888 20.837 6.328   -1.460  1.098  H221 GSL 101 
GSL H222 2H22 H 0 0 N N N 30.771 57.776 21.037 5.246   -2.732  1.713  H222 GSL 102 
GSL H231 1H23 H 0 0 N N N 32.044 55.875 20.955 5.518   -3.990  -0.406 H231 GSL 103 
GSL H232 2H23 H 0 0 N N N 30.862 54.996 19.871 6.600   -2.718  -1.022 H232 GSL 104 
GSL H241 1H24 H 0 0 N N N 30.381 55.597 22.813 8.163   -3.138  0.856  H241 GSL 105 
GSL H242 2H24 H 0 0 N N N 31.128 54.056 22.208 7.081   -4.410  1.472  H242 GSL 106 
GSL H251 1H25 H 0 0 N N N 29.051 53.819 20.738 7.353   -5.668  -0.648 H251 GSL 107 
GSL H252 2H25 H 0 0 N N N 28.319 55.145 21.739 8.435   -4.396  -1.263 H252 GSL 108 
GSL H261 1H26 H 0 0 N N N 29.196 53.505 23.709 9.998   -4.817  0.615  H261 GSL 109 
GSL H262 2H26 H 0 0 N N N 28.910 52.284 22.420 8.916   -6.088  1.231  H262 GSL 110 
GSL H271 1H27 H 0 0 N N N 26.652 53.686 22.110 9.188   -7.346  -0.889 H271 GSL 111 
GSL H272 2H27 H 0 0 N N N 26.968 54.087 23.854 10.271  -6.074  -1.504 H272 GSL 112 
GSL H381 1H38 H 0 0 N N N 25.633 52.185 23.995 11.834  -6.495  0.374  H381 GSL 113 
GSL H382 2H38 H 0 0 N N N 27.306 51.490 24.077 10.751  -7.767  0.990  H382 GSL 114 
GSL H371 1H37 H 0 0 N N N 25.864 50.184 22.576 11.023  -9.024  -1.130 H371 GSL 115 
GSL H372 2H37 H 0 0 N N N 27.191 51.006 21.650 12.106  -7.752  -1.746 H372 GSL 116 
GSL H361 1H36 H 0 0 N N N 25.695 52.607 20.747 13.669  -8.173  0.133  H361 GSL 117 
GSL H362 2H36 H 0 0 N N N 24.407 52.204 21.942 12.586  -9.445  0.749  H362 GSL 118 
GSL H351 1H35 H 0 0 N N N 23.680 50.414 20.734 14.433  -10.418 -0.590 H351 GSL 119 
GSL H352 2H35 H 0 0 N N N 25.345 49.923 20.273 12.859  -10.702 -1.371 H352 GSL 120 
GSL H353 3H35 H 0 0 N N N 24.512 51.232 19.369 13.941  -9.431  -1.987 H353 GSL 121 
# 
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 
GSL C17 C16  SING N N 1   
GSL C17 H171 SING N N 2   
GSL C17 H172 SING N N 3   
GSL C17 H173 SING N N 4   
GSL C16 C15  SING N N 5   
GSL C16 H161 SING N N 6   
GSL C16 H162 SING N N 7   
GSL C15 C14  SING N N 8   
GSL C15 H151 SING N N 9   
GSL C15 H152 SING N N 10  
GSL C14 C13  SING N N 11  
GSL C14 H141 SING N N 12  
GSL C14 H142 SING N N 13  
GSL C13 C12  SING N N 14  
GSL C13 H131 SING N N 15  
GSL C13 H132 SING N N 16  
GSL C12 C11  SING N N 17  
GSL C12 H121 SING N N 18  
GSL C12 H122 SING N N 19  
GSL C11 C10  SING N N 20  
GSL C11 H111 SING N N 21  
GSL C11 H112 SING N N 22  
GSL C10 C9   SING N N 23  
GSL C10 H101 SING N N 24  
GSL C10 H102 SING N N 25  
GSL C9  C8   SING N N 26  
GSL C9  H91  SING N N 27  
GSL C9  H92  SING N N 28  
GSL C8  C7   SING N N 29  
GSL C8  H81  SING N N 30  
GSL C8  H82  SING N N 31  
GSL C7  C6   SING N N 32  
GSL C7  H71  SING N N 33  
GSL C7  H72  SING N N 34  
GSL C6  C5   SING N N 35  
GSL C6  H61  SING N N 36  
GSL C6  H62  SING N N 37  
GSL C5  C4   SING N N 38  
GSL C5  H51  SING N N 39  
GSL C5  H52  SING N N 40  
GSL C4  C3   SING N N 41  
GSL C4  H41  SING N N 42  
GSL C4  H42  SING N N 43  
GSL C3  C2   SING N N 44  
GSL C3  H31A SING N N 45  
GSL C3  H32A SING N N 46  
GSL C2  O    SING N N 47  
GSL C2  C1   SING N N 48  
GSL C2  H2   SING N N 49  
GSL O   HO   SING N N 50  
GSL C1  C    SING N N 51  
GSL C1  N    SING N N 52  
GSL C1  H1   SING N N 53  
GSL C   O1   SING N N 54  
GSL C   H1A  SING N N 55  
GSL C   H2A  SING N N 56  
GSL O1  C29  SING N N 57  
GSL C29 O3   SING N N 58  
GSL C29 C30  SING N N 59  
GSL C29 H29  SING N N 60  
GSL O3  C28  SING N N 61  
GSL C28 C34  SING N N 62  
GSL C28 C33  SING N N 63  
GSL C28 H28  SING N N 64  
GSL C34 O7   SING N N 65  
GSL C34 O6   DOUB N N 66  
GSL O7  HO7  SING N N 67  
GSL C33 O5   SING N N 68  
GSL C33 C32  SING N N 69  
GSL C33 H33  SING N N 70  
GSL O5  HO5  SING N N 71  
GSL C32 O4   SING N N 72  
GSL C32 C30  SING N N 73  
GSL C32 H32  SING N N 74  
GSL O4  HO4  SING N N 75  
GSL C30 O31  SING N N 76  
GSL C30 H30  SING N N 77  
GSL O31 H31  SING N N 78  
GSL N   C18  SING N N 79  
GSL N   HN   SING N N 80  
GSL C18 O2   DOUB N N 81  
GSL C18 C19  SING N N 82  
GSL C19 C20  SING N N 83  
GSL C19 H191 SING N N 84  
GSL C19 H192 SING N N 85  
GSL C20 C21  SING N N 86  
GSL C20 H201 SING N N 87  
GSL C20 H202 SING N N 88  
GSL C21 C22  SING N N 89  
GSL C21 H211 SING N N 90  
GSL C21 H212 SING N N 91  
GSL C22 C23  SING N N 92  
GSL C22 H221 SING N N 93  
GSL C22 H222 SING N N 94  
GSL C23 C24  SING N N 95  
GSL C23 H231 SING N N 96  
GSL C23 H232 SING N N 97  
GSL C24 C25  SING N N 98  
GSL C24 H241 SING N N 99  
GSL C24 H242 SING N N 100 
GSL C25 C26  SING N N 101 
GSL C25 H251 SING N N 102 
GSL C25 H252 SING N N 103 
GSL C26 C27  SING N N 104 
GSL C26 H261 SING N N 105 
GSL C26 H262 SING N N 106 
GSL C27 C38  SING N N 107 
GSL C27 H271 SING N N 108 
GSL C27 H272 SING N N 109 
GSL C38 C37  SING N N 110 
GSL C38 H381 SING N N 111 
GSL C38 H382 SING N N 112 
GSL C37 C36  SING N N 113 
GSL C37 H371 SING N N 114 
GSL C37 H372 SING N N 115 
GSL C36 C35  SING N N 116 
GSL C36 H361 SING N N 117 
GSL C36 H362 SING N N 118 
GSL C35 H351 SING N N 119 
GSL C35 H352 SING N N 120 
GSL C35 H353 SING N N 121 
# 
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 
GSL SMILES           ACDLabs              10.04 O=C(O)C1OC(OCC(NC(=O)CCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCC)C(O)C(O)C1O 
GSL InChI            InChI                1.02b 
;InChI=1/C38H73NO9/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-31(40)30(29-47-38-35(44)33(42)34(43)36(48-38)37(45)46)39-32(41)28-26-24-22-20-17-14-12-10-8-6-4-2/h30-31,33-36,38,40,42-44H,3-29H2,1-2H3,(H,39,41)(H,45,46)/t30-,31+,33-,34+,35+,36-,38-/m0/s1/f/h39,45H
;
GSL InChIKey         InChI                1.02b IRPOZWRRAFKYMQ-QIOVMIEPDK 
GSL SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O)NC(=O)CCCCCCCCCCCCC 
GSL SMILES           CACTVS               3.341 CCCCCCCCCCCCCCC[CH](O)[CH](CO[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O)NC(=O)CCCCCCCCCCCCC 
GSL SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCC[C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)O)O)O)O)NC(=O)CCCCCCCCCCCCC)O 
GSL SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCC(C(COC1C(C(C(C(O1)C(=O)O)O)O)O)NC(=O)CCCCCCCCCCCCC)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 
GSL "SYSTEMATIC NAME" ACDLabs              10.04 "(2S,3R)-3-hydroxy-2-(tetradecanoylamino)octadecyl alpha-D-galactopyranosiduronic acid"                           
GSL "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R)-3-hydroxy-2-(tetradecanoylamino)octadecoxy]oxane-2-carboxylic acid" 
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