data_SFT
# 
_chem_comp.id                                    SFT 
_chem_comp.name                                  SULFOGALACTOCERAMIDE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C48 H93 N O12 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         SULFATIDE 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2005-01-12 
_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                        908.317 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     SFT 
_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        2BHI 
_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 
SFT C42    2C4    C 0 1 N N N 42.674 -0.606 30.807 24.623  -4.986  -1.017 C42    SFT 1   
SFT C32    2C3    C 0 1 N N N 42.220 -1.543 31.928 23.507  -3.939  -1.036 C32    SFT 2   
SFT C22    2C2    C 0 1 N N N 42.926 -1.170 33.232 22.165  -4.620  -0.758 C22    SFT 3   
SFT CCA    2C1    C 0 1 N N N 42.626 -2.151 34.368 21.049  -3.573  -0.777 CCA    SFT 4   
SFT C02    2C0    C 0 1 N N N 43.518 -1.796 35.561 19.707  -4.254  -0.500 C02    SFT 5   
SFT C91    1C9    C 0 1 N N N 43.430 -2.781 36.731 18.591  -3.208  -0.519 C91    SFT 6   
SFT C81    1C8    C 0 1 N N N 42.131 -2.667 37.533 17.249  -3.888  -0.241 C81    SFT 7   
SFT C71    1C7    C 0 1 N N N 40.967 -3.392 36.854 16.133  -2.842  -0.260 C71    SFT 8   
SFT C61    1C6    C 0 1 N N N 39.680 -3.272 37.672 14.791  -3.522  0.017  C61    SFT 9   
SFT C51    1C5    C 0 1 N N N 39.003 -1.915 37.470 13.675  -2.476  -0.002 C51    SFT 10  
SFT C41    1C4    C 0 1 N N N 37.744 -1.815 38.335 12.333  -3.156  0.276  C41    SFT 11  
SFT C31    1C3    C 0 1 N N N 36.924 -0.559 38.028 11.217  -2.110  0.257  C31    SFT 12  
SFT C21    1C2    C 0 1 N N N 36.258 -0.606 36.649 9.875   -2.791  0.534  C21    SFT 13  
SFT CBA    1C1    C 0 1 N N N 37.255 -0.527 35.490 8.759   -1.744  0.515  CBA    SFT 14  
SFT C01    1C0    C 0 1 N N N 36.554 -0.846 34.167 7.417   -2.425  0.793  C01    SFT 15  
SFT "C9'"  "C9'"  C 0 1 N N N 37.525 -0.860 32.983 6.301   -1.378  0.774  "C9'"  SFT 16  
SFT "C8'"  "C8'"  C 0 1 N N N 37.745 0.529  32.377 4.959   -2.059  1.051  "C8'"  SFT 17  
SFT "C7'"  "C7'"  C 0 1 N N N 38.816 0.510  31.281 3.843   -1.012  1.032  "C7'"  SFT 18  
SFT "C6'"  "C6'"  C 0 1 N N N 38.464 -0.408 30.106 2.501   -1.693  1.310  "C6'"  SFT 19  
SFT "C5'"  "C5'"  C 0 1 N N N 37.349 0.144  29.212 1.385   -0.647  1.291  "C5'"  SFT 20  
SFT "C4'"  "C4'"  C 0 1 N N N 37.844 1.136  28.156 0.043   -1.327  1.568  "C4'"  SFT 21  
SFT "C3'"  "C3'"  C 0 1 N N N 38.871 0.501  27.215 -1.073  -0.281  1.549  "C3'"  SFT 22  
SFT "C2'"  "C2'"  C 0 1 N N R 38.951 1.236  25.872 -2.415  -0.961  1.827  "C2'"  SFT 23  
SFT "O2'"  "O2'"  O 0 1 N N N 39.115 2.644  26.071 -2.415  -1.490  3.154  "O2'"  SFT 24  
SFT "C1'"  "C1'"  C 0 1 N N N 40.105 0.674  25.048 -3.527  0.046   1.687  "C1'"  SFT 25  
SFT "O1'"  "O1'"  O 0 1 N N N 41.019 1.404  24.642 -4.191  0.354   2.654  "O1'"  SFT 26  
SFT N1     N1     N 0 1 N N N 40.036 -0.637 24.817 -3.784  0.604   0.487  N1     SFT 27  
SFT C2     C2     C 0 1 N N S 41.018 -1.408 24.042 -4.866  1.582   0.351  C2     SFT 28  
SFT C1     C1     C 0 1 N N N 40.720 -1.276 22.545 -4.345  2.973   0.722  C1     SFT 29  
SFT O1     O1     O 0 1 N N N 39.563 -2.052 22.199 -3.349  3.375   -0.221 O1     SFT 30  
SFT C1B    C1*    C 0 1 N N R 39.011 -1.685 20.926 -2.904  4.673   0.177  C1B    SFT 31  
SFT C2B    C2*    C 0 1 N N R 38.107 -0.458 21.065 -1.743  5.110   -0.719 C2B    SFT 32  
SFT O2B    O2*    O 0 1 N N N 37.051 -0.742 21.983 -0.678  4.163   -0.616 O2B    SFT 33  
SFT "O5'"  O5*    O 0 1 N N N 40.008 -1.465 19.916 -3.981  5.601   0.057  "O5'"  SFT 34  
SFT C5B    C5*    C 0 1 N N R 39.443 -1.242 18.614 -3.554  6.835   0.630  C5B    SFT 35  
SFT C6B    C6*    C 0 1 N N N 40.533 -1.036 17.559 -4.737  7.802   0.696  C6B    SFT 36  
SFT "O6'"  O6*    O 0 1 N N N 41.343 -2.206 17.426 -5.723  7.289   1.594  "O6'"  SFT 37  
SFT C4B    C4*    C 0 1 N N S 38.579 0.018  18.639 -2.444  7.448   -0.228 C4B    SFT 38  
SFT "O4'"  O4*    O 0 1 N N N 39.425 1.146  18.866 -2.928  7.659   -1.556 "O4'"  SFT 39  
SFT C3B    C3*    C 0 1 N N S 37.501 -0.045 19.723 -1.250  6.488   -0.261 C3B    SFT 40  
SFT "O3'"  O3*    O 0 1 N N N 36.906 1.254  19.826 -0.267  6.977   -1.176 "O3'"  SFT 41  
SFT S      S      S 0 1 N N N 35.557 1.270  20.304 0.773   7.718   -0.348 S      SFT 42  
SFT O3S    O3S    O 0 1 N N N 34.718 1.958  19.370 1.678   8.286   -1.285 O3S    SFT 43  
SFT O1S    O1S    O 0 1 N N N 35.032 -0.055 20.768 1.573   6.675   0.419  O1S    SFT 44  
SFT O2S    O2S    O 0 1 N N N 35.577 2.139  21.525 0.042   8.442   0.632  O2S    SFT 45  
SFT C3     C3     C 0 1 N N R 42.474 -1.032 24.343 -5.365  1.594   -1.095 C3     SFT 46  
SFT O2     O2     O 0 1 N N N 43.312 -1.941 23.623 -6.355  2.612   -1.250 O2     SFT 47  
SFT C4     C4     C 0 1 N N N 42.761 -1.128 25.846 -5.967  0.253   -1.429 C4     SFT 48  
SFT C5     C5     C 0 1 N N N 44.055 -1.032 26.352 -7.192  0.181   -1.887 C5     SFT 49  
SFT C6     C6     C 0 1 N N N 44.277 -1.119 27.723 -7.794  -1.160  -2.221 C6     SFT 50  
SFT C7     C7     C 0 1 N N N 45.642 -1.686 28.133 -9.108  -1.333  -1.457 C7     SFT 51  
SFT C8     C8     C 0 1 N N N 46.821 -0.804 27.707 -9.719  -2.694  -1.796 C8     SFT 52  
SFT C9     C9     C 0 1 N N N 47.931 -0.711 28.760 -11.033 -2.868  -1.032 C9     SFT 53  
SFT C10    C10    C 0 1 N N N 48.717 -2.004 28.997 -11.644 -4.229  -1.372 C10    SFT 54  
SFT C11    C11    C 0 1 N N N 49.807 -1.753 30.043 -12.958 -4.403  -0.607 C11    SFT 55  
SFT C12    C12    C 0 1 N N N 50.724 -2.966 30.223 -13.569 -5.764  -0.947 C12    SFT 56  
SFT C13    C13    C 0 1 N N N 51.890 -2.708 31.183 -14.884 -5.937  -0.182 C13    SFT 57  
SFT C14    C14    C 0 1 N N N 51.470 -2.603 32.652 -15.495 -7.298  -0.522 C14    SFT 58  
SFT C15    C15    C 0 1 N N N 50.913 -1.229 33.033 -16.809 -7.472  0.242  C15    SFT 59  
SFT C16    C16    C 0 1 N N N 52.012 -0.162 33.031 -17.420 -8.833  -0.097 C16    SFT 60  
SFT C17    C17    C 0 1 N N N 51.494 1.209  33.473 -18.734 -9.007  0.667  C17    SFT 61  
SFT C18    C18    C 0 1 N N N 51.038 1.201  34.934 -19.345 -10.368 0.328  C18    SFT 62  
SFT "H2'1" "1H2'" H 0 0 N N N 42.159 -0.878 29.856 24.654  -5.465  -0.038 "H2'1" SFT 63  
SFT "H2'2" "2H2'" H 0 0 N N N 43.783 -0.593 30.694 24.431  -5.736  -1.783 "H2'2" SFT 64  
SFT "H2'3" "3H2'" H 0 0 N N N 42.526 0.467  31.072 25.579  -4.501  -1.214 "H2'3" SFT 65  
SFT H2A1   1H2A   H 0 0 N N N 42.368 -2.616 31.663 23.699  -3.189  -0.269 H2A1   SFT 66  
SFT H2A2   2H2A   H 0 0 N N N 41.111 -1.556 32.041 23.475  -3.460  -2.014 H2A2   SFT 67  
SFT H2B1   1H2B   H 0 0 N N N 42.684 -0.124 33.533 21.973  -5.370  -1.525 H2B1   SFT 68  
SFT H2B2   2H2B   H 0 0 N N N 44.025 -1.063 33.076 22.196  -5.099  0.220  H2B2   SFT 69  
SFT H2C1   1H2C   H 0 0 N N N 42.733 -3.216 34.055 21.241  -2.823  -0.011 H2C1   SFT 70  
SFT H2C2   2H2C   H 0 0 N N N 41.544 -2.179 34.635 21.017  -3.094  -1.756 H2C2   SFT 71  
SFT H2D1   1H2D   H 0 0 N N N 43.307 -0.758 35.910 19.515  -5.004  -1.266 H2D1   SFT 72  
SFT H2D2   2H2D   H 0 0 N N N 44.577 -1.675 35.233 19.738  -4.734  0.479  H2D2   SFT 73  
SFT "H1'1" "1H1'" H 0 0 N N N 44.316 -2.678 37.400 18.783  -2.457  0.248  "H1'1" SFT 74  
SFT "H1'2" "2H1'" H 0 0 N N N 43.584 -3.827 36.377 18.559  -2.728  -1.497 "H1'2" SFT 75  
SFT H1A1   1H1A   H 0 0 N N N 41.877 -1.601 37.740 17.057  -4.639  -1.008 H1A1   SFT 76  
SFT H1A2   2H1A   H 0 0 N N N 42.271 -3.022 38.581 17.280  -4.368  0.737  H1A2   SFT 77  
SFT H1B1   1H1B   H 0 0 N N N 41.218 -4.457 36.641 16.325  -2.091  0.506  H1B1   SFT 78  
SFT H1B2   2H1B   H 0 0 N N N 40.820 -3.037 35.807 16.101  -2.362  -1.239 H1B2   SFT 79  
SFT H1C1   1H1C   H 0 0 N N N 39.865 -3.477 38.752 14.599  -4.273  -0.749 H1C1   SFT 80  
SFT H1C2   2H1C   H 0 0 N N N 38.980 -4.112 37.453 14.822  -4.002  0.996  H1C2   SFT 81  
SFT H1D1   1H1D   H 0 0 N N N 38.786 -1.715 36.395 13.867  -1.725  0.765  H1D1   SFT 82  
SFT H1D2   2H1D   H 0 0 N N N 39.704 -1.069 37.657 13.643  -1.996  -0.980 H1D2   SFT 83  
SFT H1E1   1H1E   H 0 0 N N N 37.995 -1.876 39.420 12.141  -3.907  -0.491 H1E1   SFT 84  
SFT H1E2   2H1E   H 0 0 N N N 37.120 -2.735 38.245 12.364  -3.636  1.254  H1E2   SFT 85  
SFT H1F1   1H1F   H 0 0 N N N 37.545 0.360  38.140 11.409  -1.359  1.023  H1F1   SFT 86  
SFT H1F2   2H1F   H 0 0 N N N 36.172 -0.368 38.828 11.185  -1.630  -0.722 H1F2   SFT 87  
SFT H1G1   1H1G   H 0 0 N N N 35.481 0.189  36.557 9.683   -3.541  -0.232 H1G1   SFT 88  
SFT H1G2   2H1G   H 0 0 N N N 35.611 -1.509 36.553 9.906   -3.270  1.513  H1G2   SFT 89  
SFT H1H1   1H1H   H 0 0 N N N 38.143 -1.180 35.659 8.951   -0.994  1.282  H1H1   SFT 90  
SFT H1H2   2H1H   H 0 0 N N N 37.779 0.457  35.457 8.727   -1.264  -0.463 H1H2   SFT 91  
SFT H1I1   1H1I   H 0 0 N N N 35.705 -0.147 33.983 7.225   -3.175  0.026  H1I1   SFT 92  
SFT H1I2   2H1I   H 0 0 N N N 35.986 -1.803 34.233 7.448   -2.904  1.771  H1I2   SFT 93  
SFT "H9'1" "1H9'" H 0 0 N N N 37.194 -1.587 32.205 6.493   -0.628  1.540  "H9'1" SFT 94  
SFT "H9'2" "2H9'" H 0 0 N N N 38.495 -1.329 33.269 6.269   -0.899  -0.205 "H9'2" SFT 95  
SFT "H8'1" "1H8'" H 0 0 N N N 37.984 1.282  33.164 4.767   -2.809  0.285  "H8'1" SFT 96  
SFT "H8'2" "2H8'" H 0 0 N N N 36.789 0.964  32.003 4.990   -2.539  2.030  "H8'2" SFT 97  
SFT "H7'1" "1H7'" H 0 0 N N N 39.813 0.246  31.705 4.035   -0.262  1.799  "H7'1" SFT 98  
SFT "H7'2" "2H7'" H 0 0 N N N 39.036 1.543  30.924 3.811   -0.533  0.054  "H7'2" SFT 99  
SFT "H6'1" "1H6'" H 0 0 N N N 38.210 -1.432 30.467 2.309   -2.444  0.543  "H6'1" SFT 100 
SFT "H6'2" "2H6'" H 0 0 N N N 39.372 -0.644 29.504 2.532   -2.173  2.288  "H6'2" SFT 101 
SFT "H5'1" "1H5'" H 0 0 N N N 36.538 0.597  29.828 1.577   0.104   2.057  "H5'1" SFT 102 
SFT "H5'2" "2H5'" H 0 0 N N N 36.779 -0.687 28.735 1.353   -0.167  0.312  "H5'2" SFT 103 
SFT "H4'1" "1H4'" H 0 0 N N N 38.245 2.064  28.627 -0.149  -2.078  0.802  "H4'1" SFT 104 
SFT "H4'2" "2H4'" H 0 0 N N N 36.994 1.581  27.588 0.074   -1.807  2.547  "H4'2" SFT 105 
SFT "H3'1" "1H3'" H 0 0 N N N 38.669 -0.586 27.070 -0.881  0.470   2.316  "H3'1" SFT 106 
SFT "H3'2" "2H3'" H 0 0 N N N 39.873 0.431  27.698 -1.105  0.199   0.571  "H3'2" SFT 107 
SFT "H2'"  "H2'"  H 0 1 N N N 38.000 1.064  25.316 -2.566  -1.771  1.113  "H2'"  SFT 108 
SFT HA     HA     H 0 1 N N N 39.165 3.099  25.239 -2.279  -0.743  3.753  HA     SFT 109 
SFT H1     H1     H 0 1 N N N 39.241 -1.143 25.208 -3.253  0.357   -0.286 H1     SFT 110 
SFT H2     H2     H 0 1 N N N 40.888 -2.481 24.314 -5.686  1.313   1.016  H2     SFT 111 
SFT HA1    1HA    H 0 1 N N N 41.603 -1.544 21.919 -5.169  3.686   0.706  HA1    SFT 112 
SFT HB2    2HB    H 0 1 N N N 40.615 -0.211 22.234 -3.909  2.943   1.720  HB2    SFT 113 
SFT "H1'"  H1*    H 0 1 N N N 38.372 -2.532 20.584 -2.569  4.640   1.214  "H1'"  SFT 114 
SFT H2B    H2*    H 0 1 N N N 38.711 0.390  21.463 -2.081  5.169   -1.753 H2B    SFT 115 
SFT HB     HB     H 0 1 N N N 36.490 0.020  22.069 -1.030  3.313   -0.913 HB     SFT 116 
SFT "H5'"  H5*    H 0 1 N N N 38.813 -2.117 18.329 -3.176  6.656   1.637  "H5'"  SFT 117 
SFT H6A1   1H6*   H 0 0 N N N 41.148 -0.132 17.774 -4.393  8.774   1.050  H6A1   SFT 118 
SFT H6A2   2H6*   H 0 0 N N N 40.104 -0.719 16.580 -5.173  7.911   -0.298 H6A2   SFT 119 
SFT "H6'"  H6*    H 0 1 N N N 42.019 -2.078 16.771 -6.449  7.927   1.606  "H6'"  SFT 120 
SFT "H4'"  H4*    H 0 1 N N N 38.084 0.134  17.647 -2.135  8.400   0.203  "H4'"  SFT 121 
SFT HC     HC     H 0 1 N N N 40.094 1.185  18.193 -3.681  8.262   -1.487 HC     SFT 122 
SFT "H3'"  H3*    H 0 1 N N N 36.722 -0.785 19.426 -0.816  6.410   0.735  "H3'"  SFT 123 
SFT H1S    H1S    H 0 1 N N N 34.137 -0.044 21.085 2.230   7.155   0.941  H1S    SFT 124 
SFT H3     H3     H 0 1 N N N 42.669 0.009  23.993 -4.529  1.794   -1.766 H3     SFT 125 
SFT HD     HD     H 0 1 N N N 44.214 -1.708 23.809 -7.034  2.445   -0.582 HD     SFT 126 
SFT H4     H4     H 0 1 N N N 41.921 -1.277 26.545 -5.388  -0.648  -1.291 H4     SFT 127 
SFT H5     H5     H 0 1 N N N 44.905 -0.887 25.665 -7.771  1.082   -2.025 H5     SFT 128 
SFT H6C1   1H6C   H 0 0 N N N 43.459 -1.703 28.207 -7.987  -1.214  -3.293 H6C1   SFT 129 
SFT H6C2   2H6C   H 0 0 N N N 44.117 -0.124 28.200 -7.100  -1.951  -1.936 H6C2   SFT 130 
SFT H7C1   1H7C   H 0 0 N N N 45.769 -2.726 27.752 -8.915  -1.278  -0.386 H7C1   SFT 131 
SFT H7C2   2H7C   H 0 0 N N N 45.674 -1.886 29.229 -9.801  -0.542  -1.743 H7C2   SFT 132 
SFT H8C1   1H8C   H 0 0 N N N 46.467 0.213  27.417 -9.912  -2.749  -2.868 H8C1   SFT 133 
SFT H8C2   2H8C   H 0 0 N N N 47.234 -1.144 26.729 -9.025  -3.485  -1.511 H8C2   SFT 134 
SFT H9C1   1H9C   H 0 0 N N N 47.515 -0.333 29.723 -10.840 -2.813  0.039  H9C1   SFT 135 
SFT H9C2   2H9C   H 0 0 N N N 48.629 0.121  28.508 -11.727 -2.077  -1.318 H9C2   SFT 136 
SFT H101   1H10   H 0 0 N N N 49.130 -2.426 28.051 -11.837 -4.284  -2.443 H101   SFT 137 
SFT H102   2H10   H 0 0 N N N 48.054 -2.856 29.275 -10.951 -5.020  -1.086 H102   SFT 138 
SFT H111   1H11   H 0 0 N N N 49.367 -1.432 31.016 -12.766 -4.348  0.464  H111   SFT 139 
SFT H112   2H11   H 0 0 N N N 50.394 -0.836 29.803 -13.652 -3.612  -0.893 H112   SFT 140 
SFT H121   1H12   H 0 0 N N N 51.096 -3.331 29.237 -13.762 -5.819  -2.018 H121   SFT 141 
SFT H122   2H12   H 0 0 N N N 50.139 -3.860 30.542 -12.876 -6.555  -0.661 H122   SFT 142 
SFT H131   1H13   H 0 0 N N N 52.461 -1.802 30.872 -14.691 -5.883  0.889  H131   SFT 143 
SFT H132   2H13   H 0 0 N N N 52.682 -3.482 31.056 -15.577 -5.146  -0.468 H132   SFT 144 
SFT H141   1H14   H 0 0 N N N 52.313 -2.887 33.324 -15.687 -7.353  -1.593 H141   SFT 145 
SFT H142   2H14   H 0 0 N N N 50.745 -3.409 32.913 -14.801 -8.089  -0.236 H142   SFT 146 
SFT H151   1H15   H 0 0 N N N 50.376 -1.262 34.010 -16.616 -7.417  1.314  H151   SFT 147 
SFT H152   2H15   H 0 0 N N N 50.059 -0.938 32.378 -17.502 -6.681  -0.043 H152   SFT 148 
SFT H161   1H16   H 0 0 N N N 52.512 -0.101 32.036 -17.613 -8.888  -1.168 H161   SFT 149 
SFT H162   2H16   H 0 0 N N N 52.883 -0.481 33.649 -16.726 -9.624  0.189  H162   SFT 150 
SFT H171   1H17   H 0 0 N N N 50.686 1.574  32.798 -18.541 -8.952  1.739  H171   SFT 151 
SFT H172   2H17   H 0 0 N N N 52.250 2.007  33.288 -19.427 -8.216  0.382  H172   SFT 152 
SFT H181   1H18   H 0 0 N N N 50.661 2.200  35.256 -20.281 -10.492 0.872  H181   SFT 153 
SFT H182   2H18   H 0 0 N N N 51.846 0.836  35.609 -19.538 -10.423 -0.743 H182   SFT 154 
SFT H183   3H18   H 0 0 N N N 50.282 0.403  35.119 -18.652 -11.159 0.613  H183   SFT 155 
# 
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 
SFT C42   C32    SING N N 1   
SFT C42   "H2'1" SING N N 2   
SFT C42   "H2'2" SING N N 3   
SFT C42   "H2'3" SING N N 4   
SFT C32   C22    SING N N 5   
SFT C32   H2A1   SING N N 6   
SFT C32   H2A2   SING N N 7   
SFT C22   CCA    SING N N 8   
SFT C22   H2B1   SING N N 9   
SFT C22   H2B2   SING N N 10  
SFT CCA   C02    SING N N 11  
SFT CCA   H2C1   SING N N 12  
SFT CCA   H2C2   SING N N 13  
SFT C02   C91    SING N N 14  
SFT C02   H2D1   SING N N 15  
SFT C02   H2D2   SING N N 16  
SFT C91   C81    SING N N 17  
SFT C91   "H1'1" SING N N 18  
SFT C91   "H1'2" SING N N 19  
SFT C81   C71    SING N N 20  
SFT C81   H1A1   SING N N 21  
SFT C81   H1A2   SING N N 22  
SFT C71   C61    SING N N 23  
SFT C71   H1B1   SING N N 24  
SFT C71   H1B2   SING N N 25  
SFT C61   C51    SING N N 26  
SFT C61   H1C1   SING N N 27  
SFT C61   H1C2   SING N N 28  
SFT C51   C41    SING N N 29  
SFT C51   H1D1   SING N N 30  
SFT C51   H1D2   SING N N 31  
SFT C41   C31    SING N N 32  
SFT C41   H1E1   SING N N 33  
SFT C41   H1E2   SING N N 34  
SFT C31   C21    SING N N 35  
SFT C31   H1F1   SING N N 36  
SFT C31   H1F2   SING N N 37  
SFT C21   CBA    SING N N 38  
SFT C21   H1G1   SING N N 39  
SFT C21   H1G2   SING N N 40  
SFT CBA   C01    SING N N 41  
SFT CBA   H1H1   SING N N 42  
SFT CBA   H1H2   SING N N 43  
SFT C01   "C9'"  SING N N 44  
SFT C01   H1I1   SING N N 45  
SFT C01   H1I2   SING N N 46  
SFT "C9'" "C8'"  SING N N 47  
SFT "C9'" "H9'1" SING N N 48  
SFT "C9'" "H9'2" SING N N 49  
SFT "C8'" "C7'"  SING N N 50  
SFT "C8'" "H8'1" SING N N 51  
SFT "C8'" "H8'2" SING N N 52  
SFT "C7'" "C6'"  SING N N 53  
SFT "C7'" "H7'1" SING N N 54  
SFT "C7'" "H7'2" SING N N 55  
SFT "C6'" "C5'"  SING N N 56  
SFT "C6'" "H6'1" SING N N 57  
SFT "C6'" "H6'2" SING N N 58  
SFT "C5'" "C4'"  SING N N 59  
SFT "C5'" "H5'1" SING N N 60  
SFT "C5'" "H5'2" SING N N 61  
SFT "C4'" "C3'"  SING N N 62  
SFT "C4'" "H4'1" SING N N 63  
SFT "C4'" "H4'2" SING N N 64  
SFT "C3'" "C2'"  SING N N 65  
SFT "C3'" "H3'1" SING N N 66  
SFT "C3'" "H3'2" SING N N 67  
SFT "C2'" "O2'"  SING N N 68  
SFT "C2'" "C1'"  SING N N 69  
SFT "C2'" "H2'"  SING N N 70  
SFT "O2'" HA     SING N N 71  
SFT "C1'" "O1'"  DOUB N N 72  
SFT "C1'" N1     SING N N 73  
SFT N1    C2     SING N N 74  
SFT N1    H1     SING N N 75  
SFT C2    C1     SING N N 76  
SFT C2    C3     SING N N 77  
SFT C2    H2     SING N N 78  
SFT C1    O1     SING N N 79  
SFT C1    HA1    SING N N 80  
SFT C1    HB2    SING N N 81  
SFT O1    C1B    SING N N 82  
SFT C1B   C2B    SING N N 83  
SFT C1B   "O5'"  SING N N 84  
SFT C1B   "H1'"  SING N N 85  
SFT C2B   O2B    SING N N 86  
SFT C2B   C3B    SING N N 87  
SFT C2B   H2B    SING N N 88  
SFT O2B   HB     SING N N 89  
SFT "O5'" C5B    SING N N 90  
SFT C5B   C6B    SING N N 91  
SFT C5B   C4B    SING N N 92  
SFT C5B   "H5'"  SING N N 93  
SFT C6B   "O6'"  SING N N 94  
SFT C6B   H6A1   SING N N 95  
SFT C6B   H6A2   SING N N 96  
SFT "O6'" "H6'"  SING N N 97  
SFT C4B   "O4'"  SING N N 98  
SFT C4B   C3B    SING N N 99  
SFT C4B   "H4'"  SING N N 100 
SFT "O4'" HC     SING N N 101 
SFT C3B   "O3'"  SING N N 102 
SFT C3B   "H3'"  SING N N 103 
SFT "O3'" S      SING N N 104 
SFT S     O3S    DOUB N N 105 
SFT S     O1S    SING N N 106 
SFT S     O2S    DOUB N N 107 
SFT O1S   H1S    SING N N 108 
SFT C3    O2     SING N N 109 
SFT C3    C4     SING N N 110 
SFT C3    H3     SING N N 111 
SFT O2    HD     SING N N 112 
SFT C4    C5     DOUB N E 113 
SFT C4    H4     SING N N 114 
SFT C5    C6     SING N N 115 
SFT C5    H5     SING N N 116 
SFT C6    C7     SING N N 117 
SFT C6    H6C1   SING N N 118 
SFT C6    H6C2   SING N N 119 
SFT C7    C8     SING N N 120 
SFT C7    H7C1   SING N N 121 
SFT C7    H7C2   SING N N 122 
SFT C8    C9     SING N N 123 
SFT C8    H8C1   SING N N 124 
SFT C8    H8C2   SING N N 125 
SFT C9    C10    SING N N 126 
SFT C9    H9C1   SING N N 127 
SFT C9    H9C2   SING N N 128 
SFT C10   C11    SING N N 129 
SFT C10   H101   SING N N 130 
SFT C10   H102   SING N N 131 
SFT C11   C12    SING N N 132 
SFT C11   H111   SING N N 133 
SFT C11   H112   SING N N 134 
SFT C12   C13    SING N N 135 
SFT C12   H121   SING N N 136 
SFT C12   H122   SING N N 137 
SFT C13   C14    SING N N 138 
SFT C13   H131   SING N N 139 
SFT C13   H132   SING N N 140 
SFT C14   C15    SING N N 141 
SFT C14   H141   SING N N 142 
SFT C14   H142   SING N N 143 
SFT C15   C16    SING N N 144 
SFT C15   H151   SING N N 145 
SFT C15   H152   SING N N 146 
SFT C16   C17    SING N N 147 
SFT C16   H161   SING N N 148 
SFT C16   H162   SING N N 149 
SFT C17   C18    SING N N 150 
SFT C17   H171   SING N N 151 
SFT C17   H172   SING N N 152 
SFT C18   H181   SING N N 153 
SFT C18   H182   SING N N 154 
SFT C18   H183   SING N N 155 
# 
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 
SFT SMILES           ACDLabs              10.04 O=S(=O)(O)OC1C(O)C(OC(OCC(NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCC)C(O)/C=C/CCCCCCCCCCCCC)C1O)CO 
SFT InChI            InChI                1.02b 
;InChI=1/C48H93NO12S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(55)49-40(41(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)39-59-48-45(54)46(61-62(56,57)58)44(53)43(38-50)60-48/h34,36,40-46,48,50-54H,3-33,35,37-39H2,1-2H3,(H,49,55)(H,56,57,58)/b36-34+/t40-,41+,42+,43+,44-,45+,46-,48+/m0/s1/f/h49,56H
;
SFT InChIKey         InChI                1.02b QTTLKKFUOJQIRB-TZADNFKDDN 
SFT SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=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 
SFT SMILES           CACTVS               3.341 CCCCCCCCCCCCCCCCCCCCCC[CH](O)C(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O)[CH](O)C=CCCCCCCCCCCCCC 
SFT SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCCCCCC[C@H](C(=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)O 
SFT SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC1C(C(C(C(O1)CO)O)OS(=O)(=O)O)O)C(C=CCCCCCCCCCCCCC)O)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 
SFT "SYSTEMATIC NAME" ACDLabs              10.04 (2R)-2-hydroxy-N-[(1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]tetracosanamide                                  
SFT "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[(E,2S,3R)-3-hydroxy-2-[[(2R)-2-hydroxytetracosanoyl]amino]octadec-4-enoxy]-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate" 
# 
