data_U20
# 
_chem_comp.id                                    U20 
_chem_comp.name                                  "uridine-5'-diphosphate-3-O-(R-3-hydroxymyristoyl)-N-acetyl-D-glucosamine" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C31 H53 N3 O19 P2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         
;
(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl (3R)-3-hydroxytetradecanoate
;
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2007-07-30 
_chem_comp.pdbx_modified_date                    2008-10-14 
_chem_comp.pdbx_ambiguous_flag                   ? 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        833.709 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     U20 
_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        2QIA 
_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 
U20 C4     C4     C 0 1 N N S 9.414  -4.457 22.244 0.037   3.448  -2.475 C4     U20 1   
U20 C5     C5     C 0 1 N N R 10.384 -4.500 23.440 1.558   3.285  -2.523 C5     U20 2   
U20 C6     C6     C 0 1 N N N 9.681  -4.750 24.779 2.018   3.213  -3.980 C6     U20 3   
U20 N2     N2     N 0 1 N N N 12.051 -5.119 19.577 -0.040  4.852  1.042  N2     U20 4   
U20 C3     C3     C 0 1 N N R 10.182 -4.204 20.929 -0.409  3.580  -1.016 C3     U20 5   
U20 CCB    CCB    C 0 1 N N N 13.877 8.767  21.338 -17.048 -4.397 1.339  CCB    U20 6   
U20 CCA    CCA    C 0 1 N N N 12.665 7.859  21.144 -15.538 -4.559 1.157  CCA    U20 7   
U20 CBZ    CBZ    C 0 1 N N N 12.852 6.951  19.925 -14.897 -3.184 0.956  CBZ    U20 8   
U20 CBY    CBY    C 0 1 N N N 11.771 5.861  19.920 -13.387 -3.347 0.773  CBY    U20 9   
U20 CBX    CBX    C 0 1 N N N 11.815 4.999  18.655 -12.746 -1.972 0.572  CBX    U20 10  
U20 CBW    CBW    C 0 1 N N N 10.745 3.902  18.723 -11.236 -2.135 0.390  CBW    U20 11  
U20 CBV    CBV    C 0 1 N N N 10.582 3.151  17.391 -10.595 -0.760 0.189  CBV    U20 12  
U20 CBU    CBU    C 0 1 N N N 9.533  2.032  17.527 -9.085  -0.923 0.006  CBU    U20 13  
U20 CBS    CBS    C 0 1 N N N 9.267  1.294  16.204 -8.444  0.452  -0.195 CBS    U20 14  
U20 CBR    CBR    C 0 1 N N N 8.109  0.290  16.350 -6.934  0.289  -0.377 CBR    U20 15  
U20 CBL    CBL    C 0 1 N N N 8.637  -1.066 16.832 -6.294  1.664  -0.578 CBL    U20 16  
U20 CBJ    CBJ    C 0 1 N N R 7.540  -1.946 17.443 -4.783  1.501  -0.761 CBJ    U20 17  
U20 OCC    OCC    O 0 1 N N N 6.554  -2.262 16.460 -4.524  0.783  -1.969 OCC    U20 18  
U20 CBI    CBI    C 0 1 N N N 8.181  -3.248 17.931 -4.127  2.881  -0.837 CBI    U20 19  
U20 CAM    CAM    C 0 1 N N N 8.541  -3.170 19.429 -2.629  2.723  -0.893 CAM    U20 20  
U20 OAY    OAY    O 0 1 N N N 9.121  -1.944 19.868 -2.138  1.619  -0.875 OAY    U20 21  
U20 O3     O3     O 0 1 N N N 9.379  -4.317 19.740 -1.842  3.807  -0.964 O3     U20 22  
U20 C2     C2     C 0 1 N N R 11.235 -5.312 20.786 0.323   4.762  -0.374 C2     U20 23  
U20 CAP    CAP    C 0 1 N N N 12.498 -6.174 18.894 0.046   6.034  1.686  CAP    U20 24  
U20 CAQ    CAQ    C 0 1 N N N 13.329 -5.850 17.651 -0.327  6.126  3.143  CAQ    U20 25  
U20 OAR    OAR    O 0 1 N N N 12.275 -7.340 19.223 0.422   7.022  1.092  OAR    U20 26  
U20 O4     O4     O 0 1 N N N 8.434  -3.436 22.463 -0.585  2.304  -3.063 O4     U20 27  
U20 O6     O6     O 0 1 N N N 8.937  -5.976 24.718 3.421   2.944  -4.024 O6     U20 28  
U20 O5     O5     O 0 1 N N N 11.333 -5.569 23.205 2.177   4.403  -1.883 O5     U20 29  
U20 C1     C1     C 0 1 N N R 12.148 -5.379 22.012 1.833   4.548  -0.503 C1     U20 30  
U20 O1     O1     O 0 1 N N N 12.944 -4.181 22.014 2.210   3.368  0.209  O1     U20 31  
U20 PAO    PAO    P 0 1 N N R 14.353 -4.189 22.790 3.655   3.179  0.892  PAO    U20 32  
U20 OAT    OAT    O 0 1 N N N 14.821 -2.645 22.799 3.830   4.250  2.082  OAT    U20 33  
U20 OAS    OAS    O 0 1 N N N 15.330 -5.067 22.098 4.712   3.392  -0.122 OAS    U20 34  
U20 OAN    OAN    O 0 1 N N N 13.967 -4.693 24.257 3.777   1.689  1.489  OAN    U20 35  
U20 PAU    PAU    P 0 1 N N S 14.157 -3.819 25.599 5.008   0.785  1.999  PAU    U20 36  
U20 OAW    OAW    O 0 1 N N N 13.415 -4.701 26.730 5.407   1.219  3.497  OAW    U20 37  
U20 OAV    OAV    O 0 1 N N N 13.565 -2.460 25.518 6.168   0.981  1.102  OAV    U20 38  
U20 "O5'"  "O5'"  O 0 1 N N N 15.731 -3.860 25.911 4.576   -0.766 1.987  "O5'"  U20 39  
U20 "C5'"  "C5'"  C 0 1 N N N 16.303 -2.947 26.839 5.483   -1.829 2.288  "C5'"  U20 40  
U20 "C4'"  "C4'"  C 0 1 N N R 17.774 -2.680 26.513 4.751   -3.168 2.185  "C4'"  U20 41  
U20 "O4'"  "O4'"  O 0 1 N N N 18.287 -3.483 25.424 4.374   -3.416 0.820  "O4'"  U20 42  
U20 "C3'"  "C3'"  C 0 1 N N S 17.896 -1.242 25.994 5.687   -4.312 2.621  "C3'"  U20 43  
U20 "O3'"  "O3'"  O 0 1 N N N 18.335 -0.396 27.065 5.138   -5.008 3.742  "O3'"  U20 44  
U20 "C2'"  "C2'"  C 0 1 N N R 18.981 -1.342 24.914 5.752   -5.241 1.385  "C2'"  U20 45  
U20 "O2'"  "O2'"  O 0 1 N N N 20.043 -0.422 25.199 5.707   -6.615 1.775  "O2'"  U20 46  
U20 "C1'"  "C1'"  C 0 1 N N R 19.498 -2.778 25.093 4.464   -4.842 0.611  "C1'"  U20 47  
U20 NAX    NAX    N 0 1 N N N 20.238 -3.271 23.886 4.605   -5.146 -0.815 NAX    U20 48  
U20 CBP    CBP    C 0 1 N N N 19.646 -4.188 22.992 3.800   -6.093 -1.388 CBP    U20 49  
U20 CBO    CBO    C 0 1 N N N 20.348 -4.647 21.875 3.929   -6.373 -2.703 CBO    U20 50  
U20 CBN    CBN    C 0 1 N N N 21.648 -4.200 21.630 4.899   -5.677 -3.464 CBN    U20 51  
U20 OBQ    OBQ    O 0 1 N N N 22.271 -4.591 20.644 5.034   -5.912 -4.651 OBQ    U20 52  
U20 NBM    NBM    N 0 1 N N N 22.250 -3.287 22.511 5.673   -4.752 -2.861 NBM    U20 53  
U20 CBK    CBK    C 0 1 N N N 21.555 -2.823 23.639 5.519   -4.488 -1.550 CBK    U20 54  
U20 OBT    OBT    O 0 1 N N N 22.104 -2.024 24.397 6.224   -3.651 -1.020 OBT    U20 55  
U20 H4     H4     H 0 1 N N N 8.907  -5.429 22.155 -0.251  4.343  -3.027 H4     U20 56  
U20 H5     H5     H 0 1 N N N 10.872 -3.517 23.513 1.842   2.368  -2.007 H5     U20 57  
U20 H61    1H6    H 0 1 N N N 10.434 -4.820 25.578 1.480   2.416  -4.493 H61    U20 58  
U20 H62    2H6    H 0 1 N N N 8.992  -3.918 24.988 1.815   4.164  -4.473 H62    U20 59  
U20 HN2    HN2    H 0 1 N N N 12.271 -4.194 19.266 -0.341  4.062  1.517  HN2    U20 60  
U20 H3     H3     H 0 1 N N N 10.575 -3.179 21.001 -0.166  2.664  -0.476 H3     U20 61  
U20 HCB1   1HCB   H 0 0 N N N 14.332 8.985  20.361 -17.472 -3.924 0.454  HCB1   U20 62  
U20 HCB2   2HCB   H 0 0 N N N 13.559 9.707  21.812 -17.504 -5.376 1.482  HCB2   U20 63  
U20 HCB3   3HCB   H 0 0 N N N 14.613 8.263  21.981 -17.243 -3.774 2.212  HCB3   U20 64  
U20 HCA1   1HCA   H 0 0 N N N 11.771 8.482  20.993 -15.113 -5.032 2.043  HCA1   U20 65  
U20 HCA2   2HCA   H 0 0 N N N 12.550 7.229  22.038 -15.342 -5.182 0.284  HCA2   U20 66  
U20 HBZ1   1HBZ   H 0 0 N N N 13.845 6.480  19.969 -15.321 -2.712 0.070  HBZ1   U20 67  
U20 HBZ2   2HBZ   H 0 0 N N N 12.768 7.552  19.007 -15.092 -2.562 1.829  HBZ2   U20 68  
U20 HBY1   1HBY   H 0 0 N N N 10.786 6.347  19.977 -12.962 -3.820 1.659  HBY1   U20 69  
U20 HBY2   2HBY   H 0 0 N N N 11.953 5.203  20.782 -13.191 -3.970 -0.100 HBY2   U20 70  
U20 HBX1   1HBX   H 0 0 N N N 12.807 4.532  18.569 -13.170 -1.500 -0.313 HBX1   U20 71  
U20 HBX2   2HBX   H 0 0 N N N 11.621 5.636  17.780 -12.941 -1.350 1.445  HBX2   U20 72  
U20 HBW1   1HBW   H 0 0 N N N 9.783  4.370  18.978 -10.812 -2.608 1.276  HBW1   U20 73  
U20 HBW2   2HBW   H 0 0 N N N 11.062 3.172  19.482 -11.040 -2.758 -0.483 HBW2   U20 74  
U20 HBV1   1HBV   H 0 0 N N N 11.548 2.707  17.107 -11.020 -0.288 -0.697 HBV1   U20 75  
U20 HBV2   2HBV   H 0 0 N N N 10.247 3.861  16.621 -10.791 -0.138 1.062  HBV2   U20 76  
U20 HBU1   1HBU   H 0 0 N N N 8.589  2.483  17.867 -8.661  -1.396 0.892  HBU1   U20 77  
U20 HBU2   2HBU   H 0 0 N N N 9.925  1.296  18.244 -8.890  -1.546 -0.867 HBU2   U20 78  
U20 HBS1   1HBS   H 0 0 N N N 10.176 0.749  15.911 -8.869  0.924  -1.081 HBS1   U20 79  
U20 HBS2   2HBS   H 0 0 N N N 8.992  2.036  15.439 -8.640  1.074  0.678  HBS2   U20 80  
U20 HBR1   1HBR   H 0 0 N N N 7.385  0.677  17.082 -6.510  -0.184 0.508  HBR1   U20 81  
U20 HBR2   2HBR   H 0 0 N N N 7.624  0.158  15.371 -6.739  -0.334 -1.250 HBR2   U20 82  
U20 HBL1   1HBL   H 0 0 N N N 9.068  -1.597 15.970 -6.718  2.136  -1.464 HBL1   U20 83  
U20 HBL2   2HBL   H 0 0 N N N 9.385  -0.873 17.615 -6.489  2.287  0.295  HBL2   U20 84  
U20 HBJ    HBJ    H 0 1 N N N 7.060  -1.408 18.274 -4.372  0.949  0.085  HBJ    U20 85  
U20 HOCC   HOCC   H 0 0 N N N 5.703  -2.332 16.876 -4.863  1.217  -2.764 HOCC   U20 86  
U20 HBI1   1HBI   H 0 0 N N N 7.470  -4.073 17.779 -4.472  3.398  -1.732 HBI1   U20 87  
U20 HBI2   2HBI   H 0 0 N N N 9.106  -3.416 17.360 -4.398  3.461  0.045  HBI2   U20 88  
U20 H2     H2     H 0 1 N N N 10.688 -6.263 20.701 0.040   5.685  -0.882 H2     U20 89  
U20 HAQ1   1HAQ   H 0 0 N N N 12.666 -5.772 16.776 -1.388  6.361  3.233  HAQ1   U20 90  
U20 HAQ2   2HAQ   H 0 0 N N N 13.853 -4.895 17.800 -0.124  5.173  3.632  HAQ2   U20 91  
U20 HAQ3   3HAQ   H 0 0 N N N 14.065 -6.650 17.483 0.260   6.911  3.619  HAQ3   U20 92  
U20 HO4    HO4    H 0 1 N N N 8.217  -3.398 23.387 -0.343  2.157  -3.988 HO4    U20 93  
U20 HO6    HO6    H 0 1 N N N 8.773  -6.202 23.810 3.782   2.885  -4.920 HO6    U20 94  
U20 H1     H1     H 0 1 N N N 12.839 -6.235 21.990 2.359   5.407  -0.086 H1     U20 95  
U20 HOAT   HOAT   H 0 0 N N N 14.913 -2.347 23.696 3.170   4.169  2.784  HOAT   U20 96  
U20 HOAW   HOAW   H 0 0 N N N 13.269 -5.580 26.401 4.693   1.117  4.140  HOAW   U20 97  
U20 "H5'1" "1H5'" H 0 0 N N N 15.749 -1.998 26.793 6.310   -1.811 1.578  "H5'1" U20 98  
U20 "H5'2" "2H5'" H 0 0 N N N 16.241 -3.386 27.846 5.869   -1.702 3.299  "H5'2" U20 99  
U20 "H4'"  "H4'"  H 0 1 N N N 18.329 -2.899 27.437 3.863   -3.154 2.818  "H4'"  U20 100 
U20 "H3'"  "H3'"  H 0 1 N N N 16.954 -0.825 25.609 6.677   -3.924 2.862  "H3'"  U20 101 
U20 "HO3'" "HO3'" H 0 0 N N N 18.432 -0.912 27.857 5.687   -5.738 4.058  "HO3'" U20 102 
U20 "H2'"  "H2'"  H 0 1 N N N 18.614 -1.116 23.902 6.642   -5.036 0.790  "H2'"  U20 103 
U20 "HO2'" "HO2'" H 0 0 N N N 20.510 -0.219 24.397 6.489   -6.912 2.261  "HO2'" U20 104 
U20 "H1'"  "H1'"  H 0 1 N N N 20.266 -2.908 25.870 3.593   -5.347 1.029  "H1'"  U20 105 
U20 HBP    HBP    H 0 1 N N N 18.641 -4.538 23.173 3.066   -6.614 -0.792 HBP    U20 106 
U20 HBO    HBO    H 0 1 N N N 19.884 -5.350 21.199 3.300   -7.118 -3.168 HBO    U20 107 
U20 HNBM   HNBM   H 0 0 N N N 23.180 -2.965 22.334 6.340   -4.271 -3.376 HNBM   U20 108 
# 
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 
U20 CBS   CBR    SING N N 1   
U20 CBS   CBU    SING N N 2   
U20 CBR   CBL    SING N N 3   
U20 OCC   CBJ    SING N N 4   
U20 CBL   CBJ    SING N N 5   
U20 CBV   CBU    SING N N 6   
U20 CBV   CBW    SING N N 7   
U20 CBJ   CBI    SING N N 8   
U20 CAQ   CAP    SING N N 9   
U20 CBI   CAM    SING N N 10  
U20 CBX   CBW    SING N N 11  
U20 CBX   CBY    SING N N 12  
U20 CAP   OAR    DOUB N N 13  
U20 CAP   N2     SING N N 14  
U20 CAM   O3     SING N N 15  
U20 CAM   OAY    DOUB N N 16  
U20 N2    C2     SING N N 17  
U20 O3    C3     SING N N 18  
U20 CBY   CBZ    SING N N 19  
U20 CBZ   CCA    SING N N 20  
U20 OBQ   CBN    DOUB N N 21  
U20 C2    C3     SING N N 22  
U20 C2    C1     SING N N 23  
U20 C3    C4     SING N N 24  
U20 CCA   CCB    SING N N 25  
U20 CBN   CBO    SING N N 26  
U20 CBN   NBM    SING N N 27  
U20 CBO   CBP    DOUB N N 28  
U20 C1    O1     SING N N 29  
U20 C1    O5     SING N N 30  
U20 O1    PAO    SING N N 31  
U20 OAS   PAO    DOUB N N 32  
U20 C4    O4     SING N N 33  
U20 C4    C5     SING N N 34  
U20 NBM   CBK    SING N N 35  
U20 PAO   OAT    SING N N 36  
U20 PAO   OAN    SING N N 37  
U20 CBP   NAX    SING N N 38  
U20 O5    C5     SING N N 39  
U20 C5    C6     SING N N 40  
U20 CBK   NAX    SING N N 41  
U20 CBK   OBT    DOUB N N 42  
U20 NAX   "C1'"  SING N N 43  
U20 OAN   PAU    SING N N 44  
U20 O6    C6     SING N N 45  
U20 "C2'" "C1'"  SING N N 46  
U20 "C2'" "O2'"  SING N N 47  
U20 "C2'" "C3'"  SING N N 48  
U20 "C1'" "O4'"  SING N N 49  
U20 "O4'" "C4'"  SING N N 50  
U20 OAV   PAU    DOUB N N 51  
U20 PAU   "O5'"  SING N N 52  
U20 PAU   OAW    SING N N 53  
U20 "O5'" "C5'"  SING N N 54  
U20 "C3'" "C4'"  SING N N 55  
U20 "C3'" "O3'"  SING N N 56  
U20 "C4'" "C5'"  SING N N 57  
U20 C4    H4     SING N N 58  
U20 C5    H5     SING N N 59  
U20 C6    H61    SING N N 60  
U20 C6    H62    SING N N 61  
U20 N2    HN2    SING N N 62  
U20 C3    H3     SING N N 63  
U20 CCB   HCB1   SING N N 64  
U20 CCB   HCB2   SING N N 65  
U20 CCB   HCB3   SING N N 66  
U20 CCA   HCA1   SING N N 67  
U20 CCA   HCA2   SING N N 68  
U20 CBZ   HBZ1   SING N N 69  
U20 CBZ   HBZ2   SING N N 70  
U20 CBY   HBY1   SING N N 71  
U20 CBY   HBY2   SING N N 72  
U20 CBX   HBX1   SING N N 73  
U20 CBX   HBX2   SING N N 74  
U20 CBW   HBW1   SING N N 75  
U20 CBW   HBW2   SING N N 76  
U20 CBV   HBV1   SING N N 77  
U20 CBV   HBV2   SING N N 78  
U20 CBU   HBU1   SING N N 79  
U20 CBU   HBU2   SING N N 80  
U20 CBS   HBS1   SING N N 81  
U20 CBS   HBS2   SING N N 82  
U20 CBR   HBR1   SING N N 83  
U20 CBR   HBR2   SING N N 84  
U20 CBL   HBL1   SING N N 85  
U20 CBL   HBL2   SING N N 86  
U20 CBJ   HBJ    SING N N 87  
U20 OCC   HOCC   SING N N 88  
U20 CBI   HBI1   SING N N 89  
U20 CBI   HBI2   SING N N 90  
U20 C2    H2     SING N N 91  
U20 CAQ   HAQ1   SING N N 92  
U20 CAQ   HAQ2   SING N N 93  
U20 CAQ   HAQ3   SING N N 94  
U20 O4    HO4    SING N N 95  
U20 O6    HO6    SING N N 96  
U20 C1    H1     SING N N 97  
U20 OAT   HOAT   SING N N 98  
U20 OAW   HOAW   SING N N 99  
U20 "C5'" "H5'1" SING N N 100 
U20 "C5'" "H5'2" SING N N 101 
U20 "C4'" "H4'"  SING N N 102 
U20 "C3'" "H3'"  SING N N 103 
U20 "O3'" "HO3'" SING N N 104 
U20 "C2'" "H2'"  SING N N 105 
U20 "O2'" "HO2'" SING N N 106 
U20 "C1'" "H1'"  SING N N 107 
U20 CBP   HBP    SING N N 108 
U20 CBO   HBO    SING N N 109 
U20 NBM   HNBM   SING N N 110 
# 
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 
U20 SMILES           ACDLabs              10.04 O=P(OC1OC(C(O)C(OC(=O)CC(O)CCCCCCCCCCC)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O 
U20 InChI            InChI                1.02b 
;InChI=1/C31H53N3O19P2/c1-3-4-5-6-7-8-9-10-11-12-19(37)15-23(39)51-28-24(32-18(2)36)30(50-20(16-35)26(28)41)52-55(46,47)53-54(44,45)48-17-21-25(40)27(42)29(49-21)34-14-13-22(38)33-31(34)43/h13-14,19-21,24-30,35,37,40-42H,3-12,15-17H2,1-2H3,(H,32,36)(H,44,45)(H,46,47)(H,33,38,43)/t19-,20-,21-,24-,25-,26-,27-,28-,29-,30-/m1/s1/f/h32-33,44,46H
;
U20 InChIKey         InChI                1.02b TZSJGZGYQDNRRX-VCJKEAAHDQ 
U20 SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCC[C@@H](O)CC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@@H]1NC(C)=O 
U20 SMILES           CACTVS               3.341 CCCCCCCCCCC[CH](O)CC(=O)O[CH]1[CH](O)[CH](CO)O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH]1NC(C)=O 
U20 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O 
U20 SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCC(CC(=O)OC1C(C(OC(C1O)CO)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)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 
U20 "SYSTEMATIC NAME" ACDLabs              10.04 
;(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl (3R)-3-hydroxytetradecanoate (non-preferred name)
;
U20 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
"[(2R,3R,4R,5S,6R)-3-acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] (3R)-3-hydroxytetradecanoate" 
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