data_QUX
# 
_chem_comp.id                                    QUX 
_chem_comp.name                                  "N-[(3S,4S,5R)-4,5-dihydroxy-1-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]nonadecan-3-yl]hexacosanamide" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C51 H101 N O8" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2011-03-01 
_chem_comp.pdbx_modified_date                    2011-06-24 
_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                        856.350 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     QUX 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        3QUX 
_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 
QUX C1A  C1A  C 0 1 N N R 16.911 28.276 19.885 -4.492  -3.717 1.265  C1A  QUX 1   
QUX C2A  C2A  C 0 1 N N R 18.112 28.309 18.941 -3.322  -4.633 0.896  C2A  QUX 2   
QUX O2A  O2A  O 0 1 N N N 17.716 28.926 17.709 -2.112  -4.107 1.445  O2A  QUX 3   
QUX C3A  C3A  C 0 1 N N R 18.684 26.888 18.708 -3.204  -4.706 -0.630 C3A  QUX 4   
QUX O3A  O3A  O 0 1 N N N 19.852 26.929 17.876 -2.161  -5.616 -0.985 O3A  QUX 5   
QUX C4A  C4A  C 0 1 N N R 19.035 26.163 20.015 -4.533  -5.197 -1.211 C4A  QUX 6   
QUX O4A  O4A  O 0 1 N N N 20.303 26.613 20.500 -4.799  -6.520 -0.743 O4A  QUX 7   
QUX C5M  C5M  C 0 1 N N R 17.932 26.337 21.078 -5.656  -4.259 -0.760 C5M  QUX 8   
QUX O5M  O5M  O 0 1 N N N 17.369 25.991 23.405 -8.027  -3.842 -0.966 O5M  QUX 9   
QUX C6A  C6A  C 0 1 N N N 18.476 26.063 22.496 -6.996  -4.777 -1.288 C6A  QUX 10  
QUX O6A  O6A  O 0 1 N N N 17.312 27.663 21.119 -5.691  -4.213 0.668  O6A  QUX 11  
QUX CAG  CAG  C 0 1 N N N 15.740 27.514 19.288 -4.214  -2.302 0.753  CAG  QUX 12  
QUX CAL  CAL  C 0 1 N N N 14.398 28.197 19.548 -5.323  -1.360 1.228  CAL  QUX 13  
QUX CAM  CAM  C 0 1 N N S 13.239 27.446 18.862 -5.045  0.054  0.716  CAM  QUX 14  
QUX CAN  CAN  C 0 1 N N S 12.921 28.098 17.519 -6.215  0.969  1.085  CAN  QUX 15  
QUX CAO  CAO  C 0 1 N N R 12.410 27.132 16.470 -7.473  0.511  0.345  CAO  QUX 16  
QUX CAP  CAP  C 0 1 N N N 10.872 27.020 16.465 -8.643  1.425  0.714  CAP  QUX 17  
QUX CAQ  CAQ  C 0 1 N N N 10.434 25.737 15.740 -9.927  0.894  0.074  CAQ  QUX 18  
QUX CAR  CAR  C 0 1 N N N 8.991  25.840 15.221 -11.097 1.809  0.442  CAR  QUX 19  
QUX CAS  CAS  C 0 1 N N N 8.685  24.810 14.122 -12.381 1.278  -0.198 CAS  QUX 20  
QUX CAT  CAT  C 0 1 N N N 8.733  25.466 12.732 -13.551 2.192  0.171  CAT  QUX 21  
QUX CAU  CAU  C 0 1 N N N 7.784  24.818 11.720 -14.835 1.661  -0.469 CAU  QUX 22  
QUX CAV  CAV  C 0 1 N N N 7.794  25.608 10.412 -16.005 2.576  -0.101 CAV  QUX 23  
QUX CAW  CAW  C 0 1 N N N 6.620  26.587 10.332 -17.289 2.045  -0.741 CAW  QUX 24  
QUX CAX  CAX  C 0 1 N N N 6.813  27.561 9.161  -18.459 2.959  -0.372 CAX  QUX 25  
QUX CAY  CAY  C 0 1 N N N 5.516  28.306 8.841  -19.743 2.428  -1.012 CAY  QUX 26  
QUX CAZ  CAZ  C 0 1 N N N 5.784  29.579 8.030  -20.913 3.343  -0.644 CAZ  QUX 27  
QUX CBA  CBA  C 0 1 N N N 4.767  30.680 8.342  -22.197 2.812  -1.284 CBA  QUX 28  
QUX CBB  CBB  C 0 1 N N N 5.383  32.040 8.031  -23.367 3.726  -0.915 CBB  QUX 29  
QUX CBC  CBC  C 0 1 N N N 4.338  33.028 7.511  -24.651 3.195  -1.555 CBC  QUX 30  
QUX OBD  OBD  O 0 1 N N N 11.901 29.057 17.704 -6.442  0.908  2.494  OBD  QUX 31  
QUX OBE  OBE  O 0 1 N N N 12.897 27.627 15.212 -7.247  0.572  -1.064 OBE  QUX 32  
QUX NBF  NBF  N 0 1 N N N 13.560 26.015 18.704 -3.816  0.563  1.329  NBF  QUX 33  
QUX CBG  CBG  C 0 1 N N N 13.354 25.106 19.664 -2.619  0.269  0.783  CBG  QUX 34  
QUX OBH  OBH  O 0 1 N N N 12.883 25.336 20.787 -2.560  -0.416 -0.216 OBH  QUX 35  
QUX CBI  CBI  C 0 1 N N N 13.788 23.703 19.266 -1.354  0.793  1.413  CBI  QUX 36  
QUX CBK  CBK  C 0 1 N N N 13.012 22.658 20.059 -0.146  0.318  0.603  CBK  QUX 37  
QUX CBL  CBL  C 0 1 N N N 12.328 21.676 19.126 1.138   0.849  1.243  CBL  QUX 38  
QUX CBM  CBM  C 0 1 N N N 10.980 22.197 18.663 2.346   0.374  0.433  CBM  QUX 39  
QUX CBN  CBN  C 0 1 N N N 10.247 21.093 17.914 3.630   0.905  1.073  CBN  QUX 40  
QUX CBO  CBO  C 0 1 N N N 8.762  21.124 18.232 4.838   0.430  0.263  CBO  QUX 41  
QUX CBP  CBP  C 0 1 N N N 8.178  19.736 18.036 6.122   0.961  0.903  CBP  QUX 42  
QUX CBQ  CBQ  C 0 1 N N N 6.661  19.802 17.864 7.330   0.487  0.093  CBQ  QUX 43  
QUX CBR  CBR  C 0 1 N N N 5.947  19.667 19.212 8.614   1.018  0.733  CBR  QUX 44  
QUX CBS  CBS  C 0 1 N N N 4.470  20.013 19.082 9.822   0.543  -0.077 CBS  QUX 45  
QUX CBT  CBT  C 0 1 N N N 3.976  20.611 20.388 11.106  1.074  0.563  CBT  QUX 46  
QUX CBU  CBU  C 0 1 N N N 3.400  19.516 21.274 12.314  0.599  -0.248 CBU  QUX 47  
QUX CBV  CBV  C 0 1 N N N 3.732  19.802 22.735 13.598  1.130  0.393  CBV  QUX 48  
QUX CBW  CBW  C 0 1 N N N 3.080  18.743 23.615 14.806  0.655  -0.418 CBW  QUX 49  
QUX CBX  CBX  C 0 1 N N N 3.906  18.505 24.856 16.090  1.187  0.222  CBX  QUX 50  
QUX CBY  CBY  C 0 1 N N N 3.725  17.079 25.340 17.298  0.712  -0.588 CBY  QUX 51  
QUX CBZ  CBZ  C 0 1 N N N 4.881  16.223 24.828 18.582  1.243  0.052  CBZ  QUX 52  
QUX CCA  CCA  C 0 1 N N N 5.140  15.025 25.749 19.790  0.768  -0.758 CCA  QUX 53  
QUX CCB  CCB  C 0 1 N N N 5.798  13.869 24.984 21.074  1.299  -0.118 CCB  QUX 54  
QUX CCC  CCC  C 0 1 N N N 7.236  14.184 24.559 22.282  0.825  -0.928 CCC  QUX 55  
QUX CCD  CCD  C 0 1 N N N 7.628  13.397 23.298 23.566  1.356  -0.288 CCD  QUX 56  
QUX CCE  CCE  C 0 1 N N N 7.499  14.263 22.045 24.774  0.881  -1.098 CCE  QUX 57  
QUX CCF  CCF  C 0 1 N N N 8.212  13.634 20.844 26.059  1.412  -0.458 CCF  QUX 58  
QUX CCG  CCG  C 0 1 N N N 7.563  14.062 19.504 27.266  0.937  -1.268 CCG  QUX 59  
QUX CCH  CCH  C 0 1 N N N 7.848  15.536 19.139 28.551  1.468  -0.628 CCH  QUX 60  
QUX H1A  H1A  H 0 1 N N N 16.575 29.309 20.057 -4.608  -3.694 2.349  H1A  QUX 61  
QUX H2A  H2A  H 0 1 N N N 18.919 28.901 19.397 -3.501  -5.631 1.295  H2A  QUX 62  
QUX HO2A HO2A H 0 0 N N N 18.457 28.951 17.115 -1.329  -4.639 1.250  HO2A QUX 63  
QUX H3A  H3A  H 0 1 N N N 17.883 26.325 18.207 -2.976  -3.716 -1.026 H3A  QUX 64  
QUX HO3A HO3A H 0 0 N N N 20.182 26.047 17.749 -2.030  -5.712 -1.938 HO3A QUX 65  
QUX H4A  H4A  H 0 1 N N N 19.104 25.086 19.803 -4.475  -5.200 -2.300 H4A  QUX 66  
QUX HO4A HO4A H 0 0 N N N 20.512 26.160 21.308 -5.628  -6.895 -1.073 HO4A QUX 67  
QUX H5M  H5M  H 0 1 N N N 17.167 25.607 20.773 -5.473  -3.258 -1.152 H5M  QUX 68  
QUX HO5M HO5M H 0 0 N N N 17.690 25.822 24.283 -8.906  -4.106 -1.271 HO5M QUX 69  
QUX H6A  H6A  H 0 1 N N N 19.027 25.111 22.505 -6.938  -4.897 -2.369 H6A  QUX 70  
QUX H6AA H6AA H 0 0 N N N 19.153 26.876 22.798 -7.220  -5.738 -0.826 H6AA QUX 71  
QUX HAG  HAG  H 0 1 N N N 15.889 27.444 18.200 -3.255  -1.957 1.139  HAG  QUX 72  
QUX HAGA HAGA H 0 0 N N N 15.712 26.511 19.739 -4.186  -2.309 -0.337 HAGA QUX 73  
QUX HAL  HAL  H 0 1 N N N 14.215 28.217 20.632 -6.282  -1.705 0.842  HAL  QUX 74  
QUX HALA HALA H 0 0 N N N 14.440 29.222 19.152 -5.351  -1.353 2.318  HALA QUX 75  
QUX HAM  HAM  H 0 1 N N N 12.345 27.512 19.499 -4.929  0.032  -0.368 HAM  QUX 76  
QUX HAN  HAN  H 0 1 N N N 13.869 28.528 17.164 -5.978  1.994  0.799  HAN  QUX 77  
QUX HAO  HAO  H 0 1 N N N 12.770 26.114 16.679 -7.710  -0.515 0.631  HAO  QUX 78  
QUX HAP  HAP  H 0 1 N N N 10.508 26.992 17.503 -8.759  1.447  1.797  HAP  QUX 79  
QUX HAPA HAPA H 0 0 N N N 10.447 27.892 15.946 -8.445  2.433  0.349  HAPA QUX 80  
QUX HAQ  HAQ  H 0 1 N N N 11.105 25.568 14.885 -9.811  0.872  -1.010 HAQ  QUX 81  
QUX HAQA HAQA H 0 0 N N N 10.496 24.895 16.445 -10.125 -0.114 0.439  HAQA QUX 82  
QUX HAR  HAR  H 0 1 N N N 8.305  25.665 16.063 -11.213 1.831  1.526  HAR  QUX 83  
QUX HARA HARA H 0 0 N N N 8.841  26.847 14.806 -10.899 2.817  0.077  HARA QUX 84  
QUX HAS  HAS  H 0 1 N N N 9.434  24.006 14.165 -12.265 1.255  -1.281 HAS  QUX 85  
QUX HASA HASA H 0 0 N N N 7.680  24.395 14.289 -12.579 0.270  0.167  HASA QUX 86  
QUX HAT  HAT  H 0 1 N N N 8.448  26.523 12.841 -13.667 2.214  1.254  HAT  QUX 87  
QUX HATA HATA H 0 0 N N N 9.759  25.377 12.346 -13.353 3.200  -0.194 HATA QUX 88  
QUX HAU  HAU  H 0 1 N N N 8.112  23.786 11.524 -14.719 1.639  -1.553 HAU  QUX 89  
QUX HAUA HAUA H 0 0 N N N 6.764  24.810 12.132 -15.033 0.653  -0.104 HAUA QUX 90  
QUX HAV  HAV  H 0 1 N N N 8.733  26.177 10.350 -16.121 2.598  0.983  HAV  QUX 91  
QUX HAVA HAVA H 0 0 N N N 7.722  24.901 9.572  -15.807 3.584  -0.466 HAVA QUX 92  
QUX HAW  HAW  H 0 1 N N N 5.688  26.022 10.181 -17.173 2.022  -1.824 HAW  QUX 93  
QUX HAWA HAWA H 0 0 N N N 6.562  27.158 11.270 -17.487 1.037  -0.376 HAWA QUX 94  
QUX HAX  HAX  H 0 1 N N N 7.587  28.294 9.431  -18.575 2.982  0.711  HAX  QUX 95  
QUX HAXA HAXA H 0 0 N N N 7.126  26.993 8.273  -18.261 3.967  -0.737 HAXA QUX 96  
QUX HAY  HAY  H 0 1 N N N 4.862  27.643 8.255  -19.626 2.406  -2.096 HAY  QUX 97  
QUX HAYA HAYA H 0 0 N N N 5.025  28.584 9.785  -19.941 1.420  -0.647 HAYA QUX 98  
QUX HAZ  HAZ  H 0 1 N N N 6.790  29.949 8.277  -21.029 3.365  0.440  HAZ  QUX 99  
QUX HAZA HAZA H 0 0 N N N 5.721  29.334 6.959  -20.715 4.351  -1.008 HAZA QUX 100 
QUX HBA  HBA  H 0 1 N N N 3.867  30.535 7.726  -22.080 2.789  -2.367 HBA  QUX 101 
QUX HBAA HBAA H 0 0 N N N 4.493  30.636 9.406  -22.395 1.804  -0.919 HBAA QUX 102 
QUX HBB  HBB  H 0 1 N N N 5.826  32.446 8.952  -23.483 3.749  0.169  HBB  QUX 103 
QUX HBBA HBBA H 0 0 N N N 6.159  31.909 7.262  -23.169 4.734  -1.280 HBBA QUX 104 
QUX HBC  HBC  H 0 1 N N N 4.820  33.994 7.299  -24.848 2.187  -1.190 HBC  QUX 105 
QUX HBCA HBCA H 0 0 N N N 3.887  32.633 6.589  -25.484 3.847  -1.293 HBCA QUX 106 
QUX HBCB HBCB H 0 0 N N N 3.555  33.168 8.271  -24.534 3.173  -2.639 HBCB QUX 107 
QUX HOBD HOBD H 0 0 N N N 11.697 29.468 16.872 -6.658  0.023  2.820  HOBD QUX 108 
QUX HOBE HOBE H 0 0 N N N 12.605 27.055 14.512 -7.031  1.456  -1.390 HOBE QUX 109 
QUX HNBF HNBF H 0 0 N N N 13.951 25.709 17.836 -3.863  1.111  2.128  HNBF QUX 110 
QUX HBI  HBI  H 0 1 N N N 13.595 23.557 18.193 -1.378  1.882  1.425  HBI  QUX 111 
QUX HBIA HBIA H 0 0 N N N 14.862 23.586 19.471 -1.276  0.419  2.434  HBIA QUX 112 
QUX HBK  HBK  H 0 1 N N N 13.709 22.110 20.709 -0.122  -0.772 0.591  HBK  QUX 113 
QUX HBKA HBKA H 0 0 N N N 12.250 23.164 20.670 -0.224  0.691  -0.418 HBKA QUX 114 
QUX HBL  HBL  H 0 1 N N N 12.969 21.518 18.246 1.114   1.939  1.255  HBL  QUX 115 
QUX HBLA HBLA H 0 0 N N N 12.177 20.726 19.660 1.216   0.476  2.264  HBLA QUX 116 
QUX HBM  HBM  H 0 1 N N N 10.386 22.508 19.535 2.370   -0.716 0.421  HBM  QUX 117 
QUX HBMA HBMA H 0 0 N N N 11.128 23.059 17.996 2.268   0.747  -0.588 HBMA QUX 118 
QUX HBN  HBN  H 0 1 N N N 10.386 21.239 16.833 3.606   1.995  1.085  HBN  QUX 119 
QUX HBNA HBNA H 0 0 N N N 10.659 20.119 18.216 3.708   0.532  2.094  HBNA QUX 120 
QUX HBO  HBO  H 0 1 N N N 8.616  21.441 19.275 4.862   -0.659 0.251  HBO  QUX 121 
QUX HBOA HBOA H 0 0 N N N 8.257  21.834 17.560 4.760   0.803  -0.758 HBOA QUX 122 
QUX HBP  HBP  H 0 1 N N N 8.621  19.285 17.136 6.098   2.051  0.915  HBP  QUX 123 
QUX HBPA HBPA H 0 0 N N N 8.412  19.121 18.918 6.200   0.589  1.924  HBPA QUX 124 
QUX HBQ  HBQ  H 0 1 N N N 6.395  20.770 17.414 7.354   -0.603 0.081  HBQ  QUX 125 
QUX HBQA HBQA H 0 0 N N N 6.340  18.981 17.206 7.252   0.859  -0.929 HBQA QUX 126 
QUX HBR  HBR  H 0 1 N N N 6.042  18.630 19.565 8.590   2.107  0.745  HBR  QUX 127 
QUX HBRA HBRA H 0 0 N N N 6.413  20.353 19.934 8.692   0.645  1.754  HBRA QUX 128 
QUX HBS  HBS  H 0 1 N N N 4.334  20.742 18.269 9.846   -0.547 -0.089 HBS  QUX 129 
QUX HBSA HBSA H 0 0 N N N 3.898  19.101 18.856 9.744   0.916  -1.099 HBSA QUX 130 
QUX HBT  HBT  H 0 1 N N N 4.816  21.095 20.907 11.082  2.164  0.575  HBT  QUX 131 
QUX HBTA HBTA H 0 0 N N N 3.195  21.356 20.175 11.184  0.701  1.584  HBTA QUX 132 
QUX HBU  HBU  H 0 1 N N N 2.308  19.483 21.149 12.338  -0.491 -0.259 HBU  QUX 133 
QUX HBUA HBUA H 0 0 N N N 3.834  18.548 20.985 12.236  0.972  -1.269 HBUA QUX 134 
QUX HBV  HBV  H 0 1 N N N 4.823  19.777 22.876 13.575  2.220  0.405  HBV  QUX 135 
QUX HBVA HBVA H 0 0 N N N 3.350  20.796 23.011 13.676  0.757  1.414  HBVA QUX 136 
QUX HBW  HBW  H 0 1 N N N 2.077  19.087 23.910 14.830  -0.434 -0.430 HBW  QUX 137 
QUX HBWA HBWA H 0 0 N N N 3.001  17.803 23.049 14.728  1.028  -1.439 HBWA QUX 138 
QUX HBX  HBX  H 0 1 N N N 4.967  18.677 24.623 16.066  2.276  0.234  HBX  QUX 139 
QUX HBXA HBXA H 0 0 N N N 3.582  19.199 25.645 16.168  0.814  1.244  HBXA QUX 140 
QUX HBY  HBY  H 0 1 N N N 3.714  17.062 26.440 17.322  -0.378 -0.600 HBY  QUX 141 
QUX HBYA HBYA H 0 0 N N N 2.774  16.679 24.959 17.220  1.085  -1.609 HBYA QUX 142 
QUX HBZ  HBZ  H 0 1 N N N 4.630  15.851 23.824 18.559  2.333  0.064  HBZ  QUX 143 
QUX HBZA HBZA H 0 0 N N N 5.790  16.842 24.786 18.660  0.870  1.074  HBZA QUX 144 
QUX HCA  HCA  H 0 1 N N N 5.809  15.340 26.563 19.814  -0.322 -0.770 HCA  QUX 145 
QUX HCAA HCAA H 0 0 N N N 4.181  14.679 26.162 19.712  1.141  -1.779 HCAA QUX 146 
QUX HCB  HCB  H 0 1 N N N 5.815  12.985 25.638 21.051  2.389  -0.106 HCB  QUX 147 
QUX HCBA HCBA H 0 0 N N N 5.205  13.668 24.080 21.153  0.927  0.904  HCBA QUX 148 
QUX HCC  HCC  H 0 1 N N N 7.317  15.260 24.347 22.306  -0.265 -0.940 HCC  QUX 149 
QUX HCCA HCCA H 0 0 N N N 7.918  13.909 25.377 22.204  1.197  -1.949 HCCA QUX 150 
QUX HCD  HCD  H 0 1 N N N 8.672  13.064 23.396 23.543  2.445  -0.276 HCD  QUX 151 
QUX HCDA HCDA H 0 0 N N N 6.963  12.526 23.200 23.645  0.983  0.733  HCDA QUX 152 
QUX HCE  HCE  H 0 1 N N N 6.432  14.376 21.802 24.798  -0.209 -1.110 HCE  QUX 153 
QUX HCEA HCEA H 0 0 N N N 7.949  15.246 22.248 24.696  1.254  -2.119 HCEA QUX 154 
QUX HCF  HCF  H 0 1 N N N 9.263  13.959 20.847 26.035  2.502  -0.446 HCF  QUX 155 
QUX HCFA HCFA H 0 0 N N N 8.153  12.539 20.932 26.137  1.039  0.563  HCFA QUX 156 
QUX HCG  HCG  H 0 1 N N N 7.967  13.424 18.705 27.290  -0.153 -1.280 HCG  QUX 157 
QUX HCGA HCGA H 0 0 N N N 6.474  13.932 19.590 27.188  1.310  -2.289 HCGA QUX 158 
QUX HCH  HCH  H 0 1 N N N 7.363  15.778 18.182 28.527  2.558  -0.616 HCH  QUX 159 
QUX HCHA HCHA H 0 0 N N N 7.451  16.192 19.927 28.629  1.095  0.393  HCHA QUX 160 
QUX HCHB HCHB H 0 0 N N N 8.934  15.688 19.048 29.411  1.130  -1.205 HCHB QUX 161 
# 
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 
QUX C2A C1A  SING N N 1   
QUX CAG C1A  SING N N 2   
QUX C1A O6A  SING N N 3   
QUX C1A H1A  SING N N 4   
QUX O2A C2A  SING N N 5   
QUX C3A C2A  SING N N 6   
QUX C2A H2A  SING N N 7   
QUX O2A HO2A SING N N 8   
QUX O3A C3A  SING N N 9   
QUX C3A C4A  SING N N 10  
QUX C3A H3A  SING N N 11  
QUX O3A HO3A SING N N 12  
QUX C4A O4A  SING N N 13  
QUX C4A C5M  SING N N 14  
QUX C4A H4A  SING N N 15  
QUX O4A HO4A SING N N 16  
QUX C5M O6A  SING N N 17  
QUX C5M C6A  SING N N 18  
QUX C5M H5M  SING N N 19  
QUX C6A O5M  SING N N 20  
QUX O5M HO5M SING N N 21  
QUX C6A H6A  SING N N 22  
QUX C6A H6AA SING N N 23  
QUX CAG CAL  SING N N 24  
QUX CAG HAG  SING N N 25  
QUX CAG HAGA SING N N 26  
QUX CAM CAL  SING N N 27  
QUX CAL HAL  SING N N 28  
QUX CAL HALA SING N N 29  
QUX CAN CAM  SING N N 30  
QUX NBF CAM  SING N N 31  
QUX CAM HAM  SING N N 32  
QUX CAO CAN  SING N N 33  
QUX CAN OBD  SING N N 34  
QUX CAN HAN  SING N N 35  
QUX OBE CAO  SING N N 36  
QUX CAP CAO  SING N N 37  
QUX CAO HAO  SING N N 38  
QUX CAQ CAP  SING N N 39  
QUX CAP HAP  SING N N 40  
QUX CAP HAPA SING N N 41  
QUX CAR CAQ  SING N N 42  
QUX CAQ HAQ  SING N N 43  
QUX CAQ HAQA SING N N 44  
QUX CAS CAR  SING N N 45  
QUX CAR HAR  SING N N 46  
QUX CAR HARA SING N N 47  
QUX CAT CAS  SING N N 48  
QUX CAS HAS  SING N N 49  
QUX CAS HASA SING N N 50  
QUX CAU CAT  SING N N 51  
QUX CAT HAT  SING N N 52  
QUX CAT HATA SING N N 53  
QUX CAV CAU  SING N N 54  
QUX CAU HAU  SING N N 55  
QUX CAU HAUA SING N N 56  
QUX CAW CAV  SING N N 57  
QUX CAV HAV  SING N N 58  
QUX CAV HAVA SING N N 59  
QUX CAX CAW  SING N N 60  
QUX CAW HAW  SING N N 61  
QUX CAW HAWA SING N N 62  
QUX CAY CAX  SING N N 63  
QUX CAX HAX  SING N N 64  
QUX CAX HAXA SING N N 65  
QUX CAZ CAY  SING N N 66  
QUX CAY HAY  SING N N 67  
QUX CAY HAYA SING N N 68  
QUX CAZ CBA  SING N N 69  
QUX CAZ HAZ  SING N N 70  
QUX CAZ HAZA SING N N 71  
QUX CBB CBA  SING N N 72  
QUX CBA HBA  SING N N 73  
QUX CBA HBAA SING N N 74  
QUX CBC CBB  SING N N 75  
QUX CBB HBB  SING N N 76  
QUX CBB HBBA SING N N 77  
QUX CBC HBC  SING N N 78  
QUX CBC HBCA SING N N 79  
QUX CBC HBCB SING N N 80  
QUX OBD HOBD SING N N 81  
QUX OBE HOBE SING N N 82  
QUX NBF CBG  SING N N 83  
QUX NBF HNBF SING N N 84  
QUX CBI CBG  SING N N 85  
QUX CBG OBH  DOUB N N 86  
QUX CBI CBK  SING N N 87  
QUX CBI HBI  SING N N 88  
QUX CBI HBIA SING N N 89  
QUX CBL CBK  SING N N 90  
QUX CBK HBK  SING N N 91  
QUX CBK HBKA SING N N 92  
QUX CBM CBL  SING N N 93  
QUX CBL HBL  SING N N 94  
QUX CBL HBLA SING N N 95  
QUX CBN CBM  SING N N 96  
QUX CBM HBM  SING N N 97  
QUX CBM HBMA SING N N 98  
QUX CBN CBO  SING N N 99  
QUX CBN HBN  SING N N 100 
QUX CBN HBNA SING N N 101 
QUX CBP CBO  SING N N 102 
QUX CBO HBO  SING N N 103 
QUX CBO HBOA SING N N 104 
QUX CBQ CBP  SING N N 105 
QUX CBP HBP  SING N N 106 
QUX CBP HBPA SING N N 107 
QUX CBQ CBR  SING N N 108 
QUX CBQ HBQ  SING N N 109 
QUX CBQ HBQA SING N N 110 
QUX CBS CBR  SING N N 111 
QUX CBR HBR  SING N N 112 
QUX CBR HBRA SING N N 113 
QUX CBS CBT  SING N N 114 
QUX CBS HBS  SING N N 115 
QUX CBS HBSA SING N N 116 
QUX CBT CBU  SING N N 117 
QUX CBT HBT  SING N N 118 
QUX CBT HBTA SING N N 119 
QUX CBU CBV  SING N N 120 
QUX CBU HBU  SING N N 121 
QUX CBU HBUA SING N N 122 
QUX CBV CBW  SING N N 123 
QUX CBV HBV  SING N N 124 
QUX CBV HBVA SING N N 125 
QUX CBW CBX  SING N N 126 
QUX CBW HBW  SING N N 127 
QUX CBW HBWA SING N N 128 
QUX CBX CBY  SING N N 129 
QUX CBX HBX  SING N N 130 
QUX CBX HBXA SING N N 131 
QUX CBZ CBY  SING N N 132 
QUX CBY HBY  SING N N 133 
QUX CBY HBYA SING N N 134 
QUX CBZ CCA  SING N N 135 
QUX CBZ HBZ  SING N N 136 
QUX CBZ HBZA SING N N 137 
QUX CCB CCA  SING N N 138 
QUX CCA HCA  SING N N 139 
QUX CCA HCAA SING N N 140 
QUX CCC CCB  SING N N 141 
QUX CCB HCB  SING N N 142 
QUX CCB HCBA SING N N 143 
QUX CCD CCC  SING N N 144 
QUX CCC HCC  SING N N 145 
QUX CCC HCCA SING N N 146 
QUX CCE CCD  SING N N 147 
QUX CCD HCD  SING N N 148 
QUX CCD HCDA SING N N 149 
QUX CCF CCE  SING N N 150 
QUX CCE HCE  SING N N 151 
QUX CCE HCEA SING N N 152 
QUX CCG CCF  SING N N 153 
QUX CCF HCF  SING N N 154 
QUX CCF HCFA SING N N 155 
QUX CCH CCG  SING N N 156 
QUX CCG HCG  SING N N 157 
QUX CCG HCGA SING N N 158 
QUX CCH HCH  SING N N 159 
QUX CCH HCHA SING N N 160 
QUX CCH HCHB SING N N 161 
# 
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 
QUX SMILES_CANONICAL CACTVS               3.370 "CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC" 
QUX SMILES           CACTVS               3.370 "CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CC[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCCCCCCCCCCCC" 
QUX SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O" 
QUX SMILES           "OpenEye OEToolkits" 1.7.0 "CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CCC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCCCCCCCCCCC)O)O" 
QUX InChI            InChI                1.03  
;InChI=1S/C51H101NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-47(55)52-43(40-41-45-49(57)51(59)50(58)46(42-53)60-45)48(56)44(54)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h43-46,48-51,53-54,56-59H,3-42H2,1-2H3,(H,52,55)/t43-,44+,45+,46+,48-,49-,50-,51+/m0/s1
;
QUX InChIKey         InChI                1.03  BNYLLEHBKIGJHB-XHSUSRKPSA-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 
QUX "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.0 "N-[(3S,4S,5R)-4,5-dihydroxy-1-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]nonadecan-3-yl]hexacosanamide" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
QUX "Create component"  2011-03-01 RCSB 
QUX "Modify descriptor" 2011-06-04 RCSB 
# 
