data_QUV
# 
_chem_comp.id                                    QUV 
_chem_comp.name                                  "N-[(2S,3S,4R)-1-({6-deoxy-6-[(naphthalen-1-ylcarbamoyl)amino]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C61 H107 N3 O9" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2011-03-02 
_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                        1026.517 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     QUV 
_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        3QUZ 
_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 
QUV C1   C1   C 0 1 N N N -54.531 -28.394 19.765 -6.141  3.722   0.488  C1   QUV 1   
QUV C2   C2   C 0 1 N N S -53.522 -27.725 18.834 -6.141  2.207   0.700  C2   QUV 2   
QUV N2   N2   N 0 1 N N N -53.873 -26.310 18.622 -5.068  1.602   -0.093 N2   QUV 3   
QUV C3   C3   C 0 1 N N S -53.451 -28.435 17.483 -7.488  1.631   0.259  C3   QUV 4   
QUV O3   O3   O 0 1 N N N -53.001 -29.750 17.715 -8.544  2.310   0.942  O3   QUV 5   
QUV C4   C4   C 0 1 N N R -52.470 -27.774 16.505 -7.540  0.139   0.595  C4   QUV 6   
QUV O4   O4   O 0 1 N N N -52.469 -28.523 15.233 -6.484  -0.540  -0.088 O4   QUV 7   
QUV C5   C5   C 0 1 N N N -51.037 -27.643 17.092 -8.886  -0.437  0.153  C5   QUV 8   
QUV C6   C6   C 0 1 N N N -49.970 -27.245 16.006 -8.988  -1.897  0.601  C6   QUV 9   
QUV C7   C7   C 0 1 N N N -50.066 -25.773 15.566 -10.335 -2.473  0.159  C7   QUV 10  
QUV C8   C8   C 0 1 N N N -48.825 -25.265 14.747 -10.436 -3.933  0.607  C8   QUV 11  
QUV C9   C9   C 0 1 N N N -48.845 -25.744 13.273 -11.783 -4.509  0.165  C9   QUV 12  
QUV C10  C10  C 0 1 N N N -47.616 -25.199 12.487 -11.884 -5.969  0.612  C10  QUV 13  
QUV C11  C11  C 0 1 N N N -47.670 -25.624 11.000 -13.231 -6.545  0.171  C11  QUV 14  
QUV C12  C12  C 0 1 N N N -46.880 -26.921 10.785 -13.333 -8.005  0.618  C12  QUV 15  
QUV C13  C13  C 0 1 N N N -46.817 -27.370 9.319  -14.679 -8.581  0.177  C13  QUV 16  
QUV C14  C14  C 0 1 N N N -46.300 -28.837 9.293  -14.781 -10.040 0.624  C14  QUV 17  
QUV C15  C15  C 0 1 N N N -45.565 -29.236 8.007  -16.128 -10.617 0.183  C15  QUV 18  
QUV C16  C16  C 0 1 N N N -45.848 -30.721 7.633  -16.229 -12.076 0.630  C16  QUV 19  
QUV C17  C17  C 0 1 N N N -44.883 -31.728 8.244  -17.576 -12.653 0.188  C17  QUV 20  
QUV C18  C18  C 0 1 N N N -44.996 -33.117 7.594  -17.677 -14.112 0.636  C18  QUV 21  
QUV C1A  C1A  C 0 1 N N S -56.866 -28.890 19.751 -6.471  5.407   -1.184 C1A  QUV 22  
QUV O1A  O1A  O 0 1 N N N -55.777 -28.354 19.087 -6.446  4.012   -0.878 O1A  QUV 23  
QUV C2A  C2A  C 0 1 N N R -58.094 -28.838 18.809 -7.043  5.612   -2.589 C2A  QUV 24  
QUV O2A  O2A  O 0 1 N N N -57.789 -29.518 17.600 -8.351  5.039   -2.660 O2A  QUV 25  
QUV C3A  C3A  C 0 1 N N S -58.571 -27.374 18.539 -6.128  4.928   -3.610 C3A  QUV 26  
QUV O3A  O3A  O 0 1 N N N -59.802 -27.418 17.863 -6.615  5.176   -4.930 O3A  QUV 27  
QUV C4A  C4A  C 0 1 N N R -58.830 -26.687 19.867 -4.713  5.497   -3.471 C4A  QUV 28  
QUV O4A  O4A  O 0 1 N N N -59.933 -27.328 20.526 -4.726  6.891   -3.781 O4A  QUV 29  
QUV C5M  C5M  C 0 1 N N R -57.553 -26.776 20.721 -4.230  5.297   -2.032 C5M  QUV 30  
QUV C6A  C6A  C 0 1 N N N -57.789 -26.280 22.147 -2.840  5.916   -1.870 C6A  QUV 31  
QUV O6A  O6A  O 0 1 N N N -57.161 -28.149 20.923 -5.142  5.931   -1.133 O6A  QUV 32  
QUV CAA  CAA  C 0 1 N N N -53.466 -25.399 19.515 -3.816  1.541   0.403  CAA  QUV 33  
QUV OAA  OAA  O 0 1 N N N -52.809 -25.673 20.524 -3.579  1.987   1.506  OAA  QUV 34  
QUV CAB  CAB  C 0 1 N N N -53.895 -23.952 19.237 -2.712  0.919   -0.412 CAB  QUV 35  
QUV CAC  CAC  C 0 1 N N N -52.794 -22.940 19.429 -1.402  0.977   0.375  CAC  QUV 36  
QUV CAD  CAD  C 0 1 N N N -51.789 -22.935 18.289 -0.281  0.346   -0.452 CAD  QUV 37  
QUV CAE  CAE  C 0 1 N N N -50.588 -22.125 18.759 1.030   0.403   0.335  CAE  QUV 38  
QUV CAF  CAF  C 0 1 N N N -49.690 -21.749 17.596 2.151   -0.228  -0.493 CAF  QUV 39  
QUV CAG  CAG  C 0 1 N N N -48.712 -20.635 18.075 3.461   -0.170  0.295  CAG  QUV 40  
QUV CAH  CAH  C 0 1 N N N -47.295 -21.186 17.968 4.582   -0.802  -0.533 CAH  QUV 41  
QUV CAI  CAI  C 0 1 N N N -46.225 -20.161 18.373 5.893   -0.744  0.255  CAI  QUV 42  
QUV CAJ  CAJ  C 0 1 N N N -45.459 -20.688 19.579 7.014   -1.375  -0.573 CAJ  QUV 43  
QUV CAK  CAK  C 0 1 N N N -43.999 -20.331 19.598 8.324   -1.317  0.215  CAK  QUV 44  
QUV CAL  CAL  C 0 1 N N N -43.394 -20.967 20.865 9.445   -1.949  -0.613 CAL  QUV 45  
QUV CAM  CAM  C 0 1 N N N -43.034 -19.913 21.930 10.755  -1.891  0.175  CAM  QUV 46  
QUV CAN  CAN  C 0 1 N N N -43.387 -20.421 23.347 11.876  -2.523  -0.653 CAN  QUV 47  
QUV CAO  CAO  C 0 1 N N N -43.110 -19.362 24.429 13.187  -2.465  0.134  CAO  QUV 48  
QUV CAP  CAP  C 0 1 N N N -44.322 -18.442 24.606 14.308  -3.096  -0.694 CAP  QUV 49  
QUV CAQ  CAQ  C 0 1 N N N -44.182 -17.643 25.904 15.618  -3.038  0.094  CAQ  QUV 50  
QUV CAR  CAR  C 0 1 N N N -44.374 -16.142 25.739 16.739  -3.670  -0.734 CAR  QUV 51  
QUV CAS  CAS  C 0 1 N N N -45.821 -15.702 26.015 18.050  -3.612  0.054  CAS  QUV 52  
QUV CAT  CAT  C 0 1 N N N -46.233 -14.659 24.975 19.171  -4.244  -0.774 CAT  QUV 53  
QUV CAU  CAU  C 0 1 N N N -47.735 -14.608 24.734 20.481  -4.186  0.014  CAU  QUV 54  
QUV CAV  CAV  C 0 1 N N N -48.035 -13.974 23.360 21.602  -4.817  -0.814 CAV  QUV 55  
QUV CAW  CAW  C 0 1 N N N -48.049 -15.059 22.287 22.912  -4.759  -0.027 CAW  QUV 56  
QUV CAX  CAX  C 0 1 N N N -48.094 -14.460 20.899 24.033  -5.391  -0.854 CAX  QUV 57  
QUV CAY  CAY  C 0 1 N N N -47.497 -15.420 19.856 25.344  -5.333  -0.067 CAY  QUV 58  
QUV CAZ  CAZ  C 0 1 N N N -48.534 -16.395 19.299 26.465  -5.964  -0.895 CAZ  QUV 59  
QUV NAZ  NAZ  N 0 1 N N N -56.571 -25.629 22.699 -2.328  5.621   -0.529 NAZ  QUV 60  
QUV CCI  CCI  C 0 1 N N N -56.373 -24.297 22.604 -1.112  6.070   -0.158 CCI  QUV 61  
QUV NCJ  NCJ  N 0 1 N N N -55.246 -23.822 23.133 -0.641  5.799   1.075  NCJ  QUV 62  
QUV OCK  OCK  O 0 1 N N N -57.173 -23.545 22.019 -0.440  6.719   -0.937 OCK  QUV 63  
QUV CCL  CCL  C 0 1 Y N N -53.750 -21.905 23.381 1.006   6.381   2.772  CCL  QUV 64  
QUV CCM  CCM  C 0 1 Y N N -52.623 -22.638 23.022 0.059   6.233   3.797  CCM  QUV 65  
QUV CCN  CCN  C 0 1 Y N N -51.380 -22.004 22.996 0.428   6.446   5.090  CCN  QUV 66  
QUV CCO  CCO  C 0 1 Y N N -51.289 -20.642 23.337 1.734   6.810   5.413  CCO  QUV 67  
QUV CCP  CCP  C 0 1 Y N N -52.400 -19.907 23.672 2.678   6.962   4.444  CCP  QUV 68  
QUV CCQ  CCQ  C 0 1 Y N N -53.632 -20.529 23.707 2.334   6.750   3.099  CCQ  QUV 69  
QUV CCR  CCR  C 0 1 Y N N -54.749 -19.761 24.078 3.284   6.897   2.073  CCR  QUV 70  
QUV CCS  CCS  C 0 1 Y N N -56.022 -20.364 24.124 2.923   6.685   0.777  CCS  QUV 71  
QUV CCT  CCT  C 0 1 Y N N -56.137 -21.732 23.788 1.621   6.322   0.444  CCT  QUV 72  
QUV CCU  CCU  C 0 1 Y N N -55.021 -22.512 23.366 0.662   6.163   1.420  CCU  QUV 73  
QUV H1   H1   H 0 1 N N N -54.236 -29.433 19.973 -6.891  4.180   1.133  H1   QUV 74  
QUV H1A  H1A  H 0 1 N N N -54.593 -27.854 20.722 -5.157  4.123   0.733  H1A  QUV 75  
QUV H2   H2   H 0 1 N N N -52.536 -27.792 19.318 -5.981  1.988   1.756  H2   QUV 76  
QUV HN2  HN2  H 0 1 N N N -54.407 -26.034 17.823 -5.258  1.246   -0.975 HN2  QUV 77  
QUV H3   H3   H 0 1 N N N -54.453 -28.393 17.031 -7.606  1.765   -0.817 H3   QUV 78  
QUV HO3  HO3  H 0 1 N N N -52.947 -30.217 16.889 -8.461  2.297   1.905  HO3  QUV 79  
QUV H4   H4   H 0 1 N N N -52.812 -26.745 16.320 -7.422  0.005   1.670  H4   QUV 80  
QUV HO4  HO4  H 0 1 N N N -51.862 -28.116 14.626 -6.525  -0.463  -1.051 HO4  QUV 81  
QUV H5   H5   H 0 1 N N N -51.050 -26.864 17.869 -9.694  0.139   0.606  H5   QUV 82  
QUV H5A  H5A  H 0 1 N N N -50.748 -28.613 17.524 -8.966  -0.384  -0.932 H5A  QUV 83  
QUV H6   H6   H 0 1 N N N -48.969 -27.412 16.431 -8.180  -2.473  0.148  H6   QUV 84  
QUV H6A  H6A  H 0 1 N N N -50.128 -27.879 15.121 -8.908  -1.951  1.686  H6A  QUV 85  
QUV H7   H7   H 0 1 N N N -50.958 -25.667 14.931 -11.142 -1.897  0.612  H7   QUV 86  
QUV H7A  H7A  H 0 1 N N N -50.151 -25.154 16.471 -10.414 -2.420  -0.927 H7A  QUV 87  
QUV H8   H8   H 0 1 N N N -48.830 -24.165 14.755 -9.629  -4.508  0.154  H8   QUV 88  
QUV H8A  H8A  H 0 1 N N N -47.912 -25.650 15.225 -10.356 -3.986  1.692  H8A  QUV 89  
QUV H9   H9   H 0 1 N N N -48.820 -26.844 13.255 -12.590 -3.933  0.618  H9   QUV 90  
QUV H9A  H9A  H 0 1 N N N -49.765 -25.380 12.793 -11.863 -4.455  -0.921 H9A  QUV 91  
QUV H10  H10  H 0 1 N N N -47.615 -24.100 12.544 -11.077 -6.544  0.160  H10  QUV 92  
QUV H10A H10A H 0 0 N N N -46.697 -25.600 12.939 -11.805 -6.022  1.698  H10A QUV 93  
QUV H11  H11  H 0 1 N N N -48.718 -25.787 10.709 -14.039 -5.969  0.623  H11  QUV 94  
QUV H11A H11A H 0 0 N N N -47.232 -24.827 10.381 -13.311 -6.491  -0.915 H11A QUV 95  
QUV H12  H12  H 0 1 N N N -45.851 -26.756 11.136 -12.525 -8.580  0.166  H12  QUV 96  
QUV H12A H12A H 0 0 N N N -47.368 -27.718 11.365 -13.253 -8.058  1.704  H12A QUV 97  
QUV H13  H13  H 0 1 N N N -47.817 -27.315 8.865  -15.487 -8.005  0.629  H13  QUV 98  
QUV H13A H13A H 0 0 N N N -46.133 -26.719 8.755  -14.759 -8.527  -0.909 H13A QUV 99  
QUV H14  H14  H 0 1 N N N -45.599 -28.961 10.132 -13.974 -10.616 0.172  H14  QUV 100 
QUV H14A H14A H 0 0 N N N -47.170 -29.501 9.402  -14.701 -10.094 1.710  H14A QUV 101 
QUV H15  H15  H 0 1 N N N -45.909 -28.590 7.185  -16.935 -10.041 0.635  H15  QUV 102 
QUV H15A H15A H 0 0 N N N -44.483 -29.107 8.161  -16.208 -10.563 -0.903 H15A QUV 103 
QUV H16  H16  H 0 1 N N N -46.860 -30.969 7.987  -15.422 -12.652 0.177  H16  QUV 104 
QUV H16A H16A H 0 0 N N N -45.777 -30.810 6.539  -16.149 -12.130 1.716  H16A QUV 105 
QUV H17  H17  H 0 1 N N N -43.857 -31.359 8.102  -18.383 -12.077 0.641  H17  QUV 106 
QUV H17A H17A H 0 0 N N N -45.111 -31.824 9.316  -17.656 -12.599 -0.897 H17A QUV 107 
QUV H18  H18  H 0 1 N N N -44.281 -33.804 8.070  -17.598 -14.166 1.721  H18  QUV 108 
QUV H18A H18A H 0 0 N N N -46.018 -33.502 7.727  -18.637 -14.523 0.321  H18A QUV 109 
QUV H18B H18B H 0 0 N N N -44.770 -33.039 6.520  -16.870 -14.688 0.183  H18B QUV 110 
QUV H1AA H1AA H 0 0 N N N -56.631 -29.926 20.038 -7.095  5.928   -0.458 H1AA QUV 111 
QUV H2A  H2A  H 0 1 N N N -58.934 -29.345 19.306 -7.101  6.678   -2.808 H2A  QUV 112 
QUV HO2A HO2A H 0 0 N N N -58.541 -29.487 17.020 -8.982  5.423   -2.036 HO2A QUV 113 
QUV H3A  H3A  H 0 1 N N N -57.806 -26.843 17.954 -6.110  3.855   -3.422 H3A  QUV 114 
QUV HO3A HO3A H 0 0 N N N -60.102 -26.533 17.693 -7.511  4.847   -5.087 HO3A QUV 115 
QUV H4A  H4A  H 0 1 N N N -59.087 -25.629 19.714 -4.043  4.977   -4.156 H4A  QUV 116 
QUV HO4A HO4A H 0 0 N N N -60.098 -26.900 21.358 -5.027  7.092   -4.678 HO4A QUV 117 
QUV H5M  H5M  H 0 1 N N N -56.806 -26.179 20.178 -4.181  4.231   -1.809 H5M  QUV 118 
QUV H6AA H6AA H 0 0 N N N -58.611 -25.549 22.138 -2.166  5.496   -2.616 H6AA QUV 119 
QUV H6AB H6AB H 0 0 N N N -58.054 -27.137 22.783 -2.905  6.996   -2.004 H6AB QUV 120 
QUV HAB  HAB  H 0 1 N N N -54.233 -23.892 18.192 -2.961  -0.120  -0.628 HAB  QUV 121 
QUV HABA HABA H 0 0 N N N -54.712 -23.701 19.929 -2.598  1.467   -1.347 HABA QUV 122 
QUV HAC  HAC  H 0 1 N N N -53.250 -21.941 19.493 -1.153  2.016   0.591  HAC  QUV 123 
QUV HACA HACA H 0 0 N N N -52.260 -23.182 20.360 -1.515  0.429   1.311  HACA QUV 124 
QUV HAD  HAD  H 0 1 N N N -51.484 -23.963 18.044 -0.529  -0.693  -0.668 HAD  QUV 125 
QUV HADA HADA H 0 0 N N N -52.231 -22.477 17.392 -0.167  0.894   -1.388 HADA QUV 126 
QUV HAE  HAE  H 0 1 N N N -50.947 -21.205 19.244 1.278   1.443   0.551  HAE  QUV 127 
QUV HAEA HAEA H 0 0 N N N -50.010 -22.728 19.475 0.916   -0.145  1.271  HAEA QUV 128 
QUV HAF  HAF  H 0 1 N N N -49.120 -22.629 17.264 1.902   -1.267  -0.708 HAF  QUV 129 
QUV HAFA HAFA H 0 0 N N N -50.299 -21.378 16.758 2.265   0.320   -1.428 HAFA QUV 130 
QUV HAG  HAG  H 0 1 N N N -48.818 -19.741 17.442 3.710   0.869   0.511  HAG  QUV 131 
QUV HAGA HAGA H 0 0 N N N -48.933 -20.361 19.117 3.347   -0.718  1.230  HAGA QUV 132 
QUV HAH  HAH  H 0 1 N N N -47.211 -22.057 18.634 4.333   -1.841  -0.748 HAH  QUV 133 
QUV HAHA HAHA H 0 0 N N N -47.115 -21.480 16.923 4.696   -0.254  -1.468 HAHA QUV 134 
QUV HAI  HAI  H 0 1 N N N -45.530 -20.003 17.535 6.141   0.295   0.471  HAI  QUV 135 
QUV HAIA HAIA H 0 0 N N N -46.708 -19.207 18.631 5.779   -1.292  1.190  HAIA QUV 136 
QUV HAJ  HAJ  H 0 1 N N N -45.921 -20.263 20.482 6.765   -2.414  -0.789 HAJ  QUV 137 
QUV HAJA HAJA H 0 0 N N N -45.537 -21.785 19.573 7.127   -0.827  -1.508 HAJA QUV 138 
QUV HAK  HAK  H 0 1 N N N -43.499 -20.722 18.699 8.573   -0.278  0.430  HAK  QUV 139 
QUV HAKA HAKA H 0 0 N N N -43.874 -19.238 19.623 8.210   -1.865  1.150  HAKA QUV 140 
QUV HAL  HAL  H 0 1 N N N -44.131 -21.662 21.294 9.196   -2.988  -0.829 HAL  QUV 141 
QUV HALA HALA H 0 0 N N N -42.478 -21.507 20.583 9.559   -1.401  -1.548 HALA QUV 142 
QUV HAM  HAM  H 0 1 N N N -41.954 -19.708 21.881 11.004  -0.852  0.390  HAM  QUV 143 
QUV HAMA HAMA H 0 0 N N N -43.600 -18.991 21.728 10.642  -2.439  1.110  HAMA QUV 144 
QUV HAN  HAN  H 0 1 N N N -44.457 -20.676 23.372 11.628  -3.562  -0.869 HAN  QUV 145 
QUV HANA HANA H 0 0 N N N -42.777 -21.311 23.563 11.990  -1.975  -1.589 HANA QUV 146 
QUV HAO  HAO  H 0 1 N N N -42.900 -19.868 25.383 13.436  -1.426  0.350  HAO  QUV 147 
QUV HAOA HAOA H 0 0 N N N -42.241 -18.758 24.128 13.073  -3.013  1.070  HAOA QUV 148 
QUV HAP  HAP  H 0 1 N N N -44.380 -17.748 23.755 14.059  -4.135  -0.909 HAP  QUV 149 
QUV HAPA HAPA H 0 0 N N N -45.238 -19.050 24.649 14.422  -2.548  -1.629 HAPA QUV 150 
QUV HAQ  HAQ  H 0 1 N N N -44.945 -18.006 26.608 15.867  -1.999  0.310  HAQ  QUV 151 
QUV HAQA HAQA H 0 0 N N N -43.169 -17.813 26.298 15.504  -3.586  1.029  HAQA QUV 152 
QUV HAR  HAR  H 0 1 N N N -43.711 -15.625 26.448 16.490  -4.709  -0.950 HAR  QUV 153 
QUV HARA HARA H 0 0 N N N -44.117 -15.869 24.705 16.853  -3.122  -1.669 HARA QUV 154 
QUV HAS  HAS  H 0 1 N N N -46.490 -16.573 25.950 18.298  -2.573  0.269  HAS  QUV 155 
QUV HASA HASA H 0 0 N N N -45.888 -15.265 27.022 17.936  -4.160  0.989  HASA QUV 156 
QUV HAT  HAT  H 0 1 N N N -45.909 -13.671 25.333 18.922  -5.283  -0.990 HAT  QUV 157 
QUV HATA HATA H 0 0 N N N -45.741 -14.909 24.024 19.284  -3.695  -1.709 HATA QUV 158 
QUV HAU  HAU  H 0 1 N N N -48.140 -15.630 24.757 20.730  -3.147  0.229  HAU  QUV 159 
QUV HAUA HAUA H 0 0 N N N -48.208 -14.004 25.522 20.367  -4.734  0.949  HAUA QUV 160 
QUV HAV  HAV  H 0 1 N N N -49.017 -13.479 23.392 21.353  -5.856  -1.030 HAV  QUV 161 
QUV HAVA HAVA H 0 0 N N N -47.257 -13.234 23.121 21.716  -4.269  -1.750 HAVA QUV 162 
QUV HAW  HAW  H 0 1 N N N -47.136 -15.666 22.383 23.161  -3.720  0.189  HAW  QUV 163 
QUV HAWA HAWA H 0 0 N N N -48.939 -15.690 22.431 22.799  -5.307  0.909  HAWA QUV 164 
QUV HAX  HAX  H 0 1 N N N -49.142 -14.254 20.634 23.785  -6.430  -1.070 HAX  QUV 165 
QUV HAXA HAXA H 0 0 N N N -47.513 -13.526 20.896 24.147  -4.843  -1.790 HAXA QUV 166 
QUV HAY  HAY  H 0 1 N N N -47.096 -14.824 19.023 25.593  -4.294  0.149  HAY  QUV 167 
QUV HAYA HAYA H 0 0 N N N -46.695 -16.000 20.335 25.230  -5.881  0.868  HAYA QUV 168 
QUV HAZ  HAZ  H 0 1 N N N -48.057 -17.056 18.561 26.216  -7.004  -1.110 HAZ  QUV 169 
QUV HAZA HAZA H 0 0 N N N -48.946 -17.000 20.120 26.579  -5.416  -1.830 HAZA QUV 170 
QUV HAZB HAZB H 0 0 N N N -49.345 -15.831 18.816 27.398  -5.923  -0.333 HAZB QUV 171 
QUV HNAZ HNAZ H 0 0 N N N -55.881 -26.193 23.152 -2.864  5.104   0.092  HNAZ QUV 172 
QUV HNCJ HNCJ H 0 0 N N N -54.526 -24.474 23.371 -1.207  5.351   1.723  HNCJ QUV 173 
QUV HCM  HCM  H 0 1 N N N -52.709 -23.684 22.767 -0.957  5.953   3.561  HCM  QUV 174 
QUV HCN  HCN  H 0 1 N N N -50.494 -22.555 22.716 -0.303  6.332   5.878  HCN  QUV 175 
QUV HCO  HCO  H 0 1 N N N -50.321 -20.162 23.335 2.000   6.973   6.447  HCO  QUV 176 
QUV HCP  HCP  H 0 1 N N N -52.311 -18.856 23.905 3.686   7.245   4.709  HCP  QUV 177 
QUV HCR  HCR  H 0 1 N N N -54.633 -18.716 24.326 4.299   7.178   2.312  HCR  QUV 178 
QUV HCS  HCS  H 0 1 N N N -56.892 -19.792 24.410 3.659   6.800   -0.005 HCS  QUV 179 
QUV HCT  HCT  H 0 1 N N N -57.106 -22.204 23.853 1.360   6.160   -0.592 HCT  QUV 180 
# 
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 
QUV C2  C1   SING N N 1   
QUV O1A C1   SING N N 2   
QUV C1  H1   SING N N 3   
QUV C1  H1A  SING N N 4   
QUV C3  C2   SING N N 5   
QUV N2  C2   SING N N 6   
QUV C2  H2   SING N N 7   
QUV N2  CAA  SING N N 8   
QUV N2  HN2  SING N N 9   
QUV C4  C3   SING N N 10  
QUV C3  O3   SING N N 11  
QUV C3  H3   SING N N 12  
QUV O3  HO3  SING N N 13  
QUV O4  C4   SING N N 14  
QUV C4  C5   SING N N 15  
QUV C4  H4   SING N N 16  
QUV O4  HO4  SING N N 17  
QUV C6  C5   SING N N 18  
QUV C5  H5   SING N N 19  
QUV C5  H5A  SING N N 20  
QUV C7  C6   SING N N 21  
QUV C6  H6   SING N N 22  
QUV C6  H6A  SING N N 23  
QUV C8  C7   SING N N 24  
QUV C7  H7   SING N N 25  
QUV C7  H7A  SING N N 26  
QUV C9  C8   SING N N 27  
QUV C8  H8   SING N N 28  
QUV C8  H8A  SING N N 29  
QUV C10 C9   SING N N 30  
QUV C9  H9   SING N N 31  
QUV C9  H9A  SING N N 32  
QUV C11 C10  SING N N 33  
QUV C10 H10  SING N N 34  
QUV C10 H10A SING N N 35  
QUV C12 C11  SING N N 36  
QUV C11 H11  SING N N 37  
QUV C11 H11A SING N N 38  
QUV C13 C12  SING N N 39  
QUV C12 H12  SING N N 40  
QUV C12 H12A SING N N 41  
QUV C14 C13  SING N N 42  
QUV C13 H13  SING N N 43  
QUV C13 H13A SING N N 44  
QUV C15 C14  SING N N 45  
QUV C14 H14  SING N N 46  
QUV C14 H14A SING N N 47  
QUV C16 C15  SING N N 48  
QUV C15 H15  SING N N 49  
QUV C15 H15A SING N N 50  
QUV C16 C17  SING N N 51  
QUV C16 H16  SING N N 52  
QUV C16 H16A SING N N 53  
QUV C18 C17  SING N N 54  
QUV C17 H17  SING N N 55  
QUV C17 H17A SING N N 56  
QUV C18 H18  SING N N 57  
QUV C18 H18A SING N N 58  
QUV C18 H18B SING N N 59  
QUV C2A C1A  SING N N 60  
QUV O1A C1A  SING N N 61  
QUV C1A O6A  SING N N 62  
QUV C1A H1AA SING N N 63  
QUV O2A C2A  SING N N 64  
QUV C3A C2A  SING N N 65  
QUV C2A H2A  SING N N 66  
QUV O2A HO2A SING N N 67  
QUV O3A C3A  SING N N 68  
QUV C3A C4A  SING N N 69  
QUV C3A H3A  SING N N 70  
QUV O3A HO3A SING N N 71  
QUV C4A O4A  SING N N 72  
QUV C4A C5M  SING N N 73  
QUV C4A H4A  SING N N 74  
QUV O4A HO4A SING N N 75  
QUV C5M O6A  SING N N 76  
QUV C5M C6A  SING N N 77  
QUV C5M H5M  SING N N 78  
QUV C6A NAZ  SING N N 79  
QUV C6A H6AA SING N N 80  
QUV C6A H6AB SING N N 81  
QUV CAB CAA  SING N N 82  
QUV CAA OAA  DOUB N N 83  
QUV CAB CAC  SING N N 84  
QUV CAB HAB  SING N N 85  
QUV CAB HABA SING N N 86  
QUV CAD CAC  SING N N 87  
QUV CAC HAC  SING N N 88  
QUV CAC HACA SING N N 89  
QUV CAD CAE  SING N N 90  
QUV CAD HAD  SING N N 91  
QUV CAD HADA SING N N 92  
QUV CAF CAE  SING N N 93  
QUV CAE HAE  SING N N 94  
QUV CAE HAEA SING N N 95  
QUV CAF CAG  SING N N 96  
QUV CAF HAF  SING N N 97  
QUV CAF HAFA SING N N 98  
QUV CAH CAG  SING N N 99  
QUV CAG HAG  SING N N 100 
QUV CAG HAGA SING N N 101 
QUV CAH CAI  SING N N 102 
QUV CAH HAH  SING N N 103 
QUV CAH HAHA SING N N 104 
QUV CAI CAJ  SING N N 105 
QUV CAI HAI  SING N N 106 
QUV CAI HAIA SING N N 107 
QUV CAJ CAK  SING N N 108 
QUV CAJ HAJ  SING N N 109 
QUV CAJ HAJA SING N N 110 
QUV CAK CAL  SING N N 111 
QUV CAK HAK  SING N N 112 
QUV CAK HAKA SING N N 113 
QUV CAL CAM  SING N N 114 
QUV CAL HAL  SING N N 115 
QUV CAL HALA SING N N 116 
QUV CAM CAN  SING N N 117 
QUV CAM HAM  SING N N 118 
QUV CAM HAMA SING N N 119 
QUV CAN CAO  SING N N 120 
QUV CAN HAN  SING N N 121 
QUV CAN HANA SING N N 122 
QUV CAO CAP  SING N N 123 
QUV CAO HAO  SING N N 124 
QUV CAO HAOA SING N N 125 
QUV CAP CAQ  SING N N 126 
QUV CAP HAP  SING N N 127 
QUV CAP HAPA SING N N 128 
QUV CAR CAQ  SING N N 129 
QUV CAQ HAQ  SING N N 130 
QUV CAQ HAQA SING N N 131 
QUV CAR CAS  SING N N 132 
QUV CAR HAR  SING N N 133 
QUV CAR HARA SING N N 134 
QUV CAT CAS  SING N N 135 
QUV CAS HAS  SING N N 136 
QUV CAS HASA SING N N 137 
QUV CAU CAT  SING N N 138 
QUV CAT HAT  SING N N 139 
QUV CAT HATA SING N N 140 
QUV CAV CAU  SING N N 141 
QUV CAU HAU  SING N N 142 
QUV CAU HAUA SING N N 143 
QUV CAW CAV  SING N N 144 
QUV CAV HAV  SING N N 145 
QUV CAV HAVA SING N N 146 
QUV CAX CAW  SING N N 147 
QUV CAW HAW  SING N N 148 
QUV CAW HAWA SING N N 149 
QUV CAY CAX  SING N N 150 
QUV CAX HAX  SING N N 151 
QUV CAX HAXA SING N N 152 
QUV CAZ CAY  SING N N 153 
QUV CAY HAY  SING N N 154 
QUV CAY HAYA SING N N 155 
QUV CAZ HAZ  SING N N 156 
QUV CAZ HAZA SING N N 157 
QUV CAZ HAZB SING N N 158 
QUV CCI NAZ  SING N N 159 
QUV NAZ HNAZ SING N N 160 
QUV OCK CCI  DOUB N N 161 
QUV CCI NCJ  SING N N 162 
QUV NCJ CCU  SING N N 163 
QUV NCJ HNCJ SING N N 164 
QUV CCM CCL  DOUB Y N 165 
QUV CCU CCL  SING Y N 166 
QUV CCL CCQ  SING Y N 167 
QUV CCN CCM  SING Y N 168 
QUV CCM HCM  SING N N 169 
QUV CCN CCO  DOUB Y N 170 
QUV CCN HCN  SING N N 171 
QUV CCO CCP  SING Y N 172 
QUV CCO HCO  SING N N 173 
QUV CCP CCQ  DOUB Y N 174 
QUV CCP HCP  SING N N 175 
QUV CCQ CCR  SING Y N 176 
QUV CCR CCS  DOUB Y N 177 
QUV CCR HCR  SING N N 178 
QUV CCT CCS  SING Y N 179 
QUV CCS HCS  SING N N 180 
QUV CCU CCT  DOUB Y N 181 
QUV CCT HCT  SING N N 182 
# 
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 
QUV SMILES           ACDLabs              12.01 "O=C(Nc2c1ccccc1ccc2)NCC3OC(OCC(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)C(O)C(O)CCCCCCCCCCCCCC)C(O)C(O)C3O" 
QUV SMILES_CANONICAL CACTVS               3.370 "CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CNC(=O)Nc2cccc3ccccc23)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC" 
QUV SMILES           CACTVS               3.370 "CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O[CH](CNC(=O)Nc2cccc3ccccc23)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCCCCCCCCCCCC" 
QUV SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CNC(=O)Nc2cccc3c2cccc3)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O" 
QUV SMILES           "OpenEye OEToolkits" 1.7.0 "CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CNC(=O)Nc2cccc3c2cccc3)O)O)O)C(C(CCCCCCCCCCCCCC)O)O" 
QUV InChI            InChI                1.03  
;InChI=1S/C61H107N3O9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-46-55(66)63-52(56(67)53(65)45-36-34-32-30-28-16-14-12-10-8-6-4-2)48-72-60-59(70)58(69)57(68)54(73-60)47-62-61(71)64-51-44-40-42-49-41-38-39-43-50(49)51/h38-44,52-54,56-60,65,67-70H,3-37,45-48H2,1-2H3,(H,63,66)(H2,62,64,71)/t52-,53+,54+,56-,57-,58-,59+,60-/m0/s1
;
QUV InChIKey         InChI                1.03  LYMLSPSPEXPNPQ-DBQLOCGYSA-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 
QUV "SYSTEMATIC NAME" ACDLabs              12.01 "N-[(2S,3S,4R)-1-({6-deoxy-6-[(naphthalen-1-ylcarbamoyl)amino]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide"                
QUV "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.0 "N-[(2S,3S,4R)-3,4-dihydroxy-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(naphthalen-1-ylcarbamoylamino)methyl]oxan-2-yl]oxy-octadecan-2-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 
QUV "Create component"     2011-03-02 RCSB 
QUV "Modify aromatic_flag" 2011-06-04 RCSB 
QUV "Modify descriptor"    2011-06-04 RCSB 
# 
