data_A1AAN
# 
_chem_comp.id                                    A1AAN 
_chem_comp.name                                  "3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-[(S)-(2-{1-[(1R)-1-carboxy-2-phenylethyl]-1H-1,2,3-triazol-4-yl}ethoxy)(hydroxy)phosphoryl]-1-hydroxyethyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C27 H37 N7 O13 P3 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    1 
_chem_comp.pdbx_initial_date                     2023-12-17 
_chem_comp.pdbx_modified_date                    2024-04-19 
_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                        792.608 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1AAN 
_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        8V9I 
_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.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_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 
A1AAN C10 C1  C 0 1 N N N N N N -24.393 -13.398 33.097 -9.946  -0.850 -0.036 C10 A1AAN 1  
A1AAN C13 C2  C 0 1 Y N N N N N -25.847 -10.307 34.747 -13.069 -2.782 -0.914 C13 A1AAN 2  
A1AAN C15 C3  C 0 1 Y N N N N N -24.167 -11.215 36.198 -12.525 -3.218 1.376  C15 A1AAN 3  
A1AAN C04 C4  C 0 1 N N N N N N -18.801 -12.231 36.132 -3.395  0.819  -0.541 C04 A1AAN 4  
A1AAN C05 C5  C 0 1 N N N N N N -18.829 -12.199 34.595 -4.681  1.188  0.202  C05 A1AAN 5  
A1AAN C06 C6  C 0 1 Y N N N N N -20.076 -12.895 34.025 -5.845  0.458  -0.415 C06 A1AAN 6  
A1AAN C09 C7  C 0 1 N N R N N N -23.198 -13.021 32.222 -8.737  -1.668 -0.494 C09 A1AAN 7  
A1AAN C11 C8  C 0 1 Y N N N N N -24.662 -12.284 34.110 -11.149 -1.751 0.078  C11 A1AAN 8  
A1AAN C12 C9  C 0 1 Y N N N N N -25.617 -11.321 33.835 -11.969 -1.950 -1.017 C12 A1AAN 9  
A1AAN C14 C10 C 0 1 Y N N N N N -25.125 -10.253 35.927 -13.348 -3.414 0.283  C14 A1AAN 10 
A1AAN C16 C11 C 0 1 Y N N N N N -23.935 -12.231 35.287 -11.422 -2.392 1.272  C16 A1AAN 11 
A1AAN C07 C12 C 0 1 Y N N N N N -21.095 -12.289 33.288 -6.730  -0.342 0.224  C07 A1AAN 12 
A1AAN C17 C13 C 0 1 N N N N N N -23.159 -13.882 30.967 -8.381  -2.675 0.568  C17 A1AAN 13 
A1AAN C22 C14 C 0 1 N N S N N N -18.892 -10.131 39.106 0.347   2.282  0.609  C22 A1AAN 14 
A1AAN C23 C15 C 0 1 Y N N N N N -18.582 -10.540 40.571 1.768   1.853  0.346  C23 A1AAN 15 
A1AAN C25 C16 C 0 1 Y N N N N N -19.217 -11.358 42.877 3.924   0.856  -0.299 C25 A1AAN 16 
A1AAN C26 C17 C 0 1 N N N N N N -19.790 -11.632 44.277 5.098   0.073  -0.826 C26 A1AAN 17 
A1AAN C27 C18 C 0 1 N N N N N N -19.532 -10.411 45.177 5.457   -1.036 0.165  C27 A1AAN 18 
A1AAN C37 C19 C 0 1 Y N N N N N -18.203 -12.060 42.224 3.987   1.938  0.483  C37 A1AAN 19 
A1AAN C38 C20 C 0 1 N N N N N N -17.507 -13.281 42.850 5.292   2.529  0.952  C38 A1AAN 20 
A1AAN C40 C21 C 0 1 N N N N N N -16.834 -12.270 40.205 2.708   3.631  1.663  C40 A1AAN 21 
A1AAN C41 C22 C 0 1 Y N N N N N -15.387 -11.851 40.614 2.793   4.872  0.812  C41 A1AAN 22 
A1AAN C42 C23 C 0 1 Y N N N N N -14.465 -12.840 40.914 3.957   5.192  0.142  C42 A1AAN 23 
A1AAN C44 C24 C 0 1 Y N N N N N -12.852 -11.227 41.306 2.943   7.078  -0.701 C44 A1AAN 24 
A1AAN C45 C25 C 0 1 N N N N N N -11.409 -10.890 41.708 3.035   8.316  -1.555 C45 A1AAN 25 
A1AAN C47 C26 C 0 1 Y N N N N N -14.944 -10.521 40.675 1.695   5.723  0.677  C47 A1AAN 26 
A1AAN C49 C27 C 0 1 N N N N N N -19.523 -8.755  39.068 -0.011  1.993  2.068  C49 A1AAN 27 
A1AAN N08 N1  N 0 1 Y N N N N N -21.974 -13.224 32.986 -7.599  -0.773 -0.719 N08 A1AAN 28 
A1AAN N20 N2  N 0 1 Y N N N N N -21.568 -14.407 33.506 -7.254  -0.262 -1.849 N20 A1AAN 29 
A1AAN N21 N3  N 0 1 Y N N N N N -20.380 -14.191 34.154 -6.212  0.477  -1.702 N21 A1AAN 30 
A1AAN N39 N4  N 1 1 Y N N N N N -17.886 -11.607 41.020 2.816   2.445  0.810  N39 A1AAN 31 
A1AAN N43 N5  N 0 1 Y N N N N N -13.225 -12.498 41.253 3.996   6.291  -0.598 N43 A1AAN 32 
A1AAN N46 N6  N 0 1 Y N N N N N -13.692 -10.247 41.026 1.811   6.808  -0.084 N46 A1AAN 33 
A1AAN N48 N7  N 0 1 N N N N N N -15.827 -9.417  40.366 0.503   5.443  1.325  N48 A1AAN 34 
A1AAN O01 O1  O 0 1 N N N N N N -19.780 -12.734 38.779 -0.674  1.948  -1.983 O01 A1AAN 35 
A1AAN O03 O2  O 0 1 N N N N N N -19.750 -11.306 36.626 -2.291  1.511  0.044  O03 A1AAN 36 
A1AAN O18 O3  O 0 1 N N N N N N -22.053 -14.297 30.532 -9.277  -3.602 0.942  O18 A1AAN 37 
A1AAN O19 O4  O 0 1 N N N N N N -24.225 -14.174 30.365 -7.289  -2.649 1.084  O19 A1AAN 38 
A1AAN O28 O5  O 0 1 N N N N N N -20.122 -10.688 46.418 6.571   -1.779 -0.335 O28 A1AAN 39 
A1AAN O30 O6  O 0 1 N N N N N N -20.921 -9.976  48.756 7.868   -2.507 1.834  O30 A1AAN 40 
A1AAN O31 O7  O 0 1 N N N N N N -21.594 -8.498  46.732 8.362   -3.700 -0.457 O31 A1AAN 41 
A1AAN O33 O8  O 0 1 N N N N N N -23.912 -7.527  47.181 8.121   -6.210 -1.198 O33 A1AAN 42 
A1AAN O34 O9  O 0 1 N N N N N N -23.533 -9.899  47.758 10.476  -5.042 -1.258 O34 A1AAN 43 
A1AAN O35 O10 O 0 1 N N N N N N -23.631 -9.179  45.374 9.329   -5.577 0.926  O35 A1AAN 44 
A1AAN O36 O11 O 0 1 N N N N N N -19.191 -8.591  47.620 6.167   -4.024 0.747  O36 A1AAN 45 
A1AAN O50 O12 O 0 1 N N N N N N -17.706 -10.084 38.375 0.218   3.682  0.355  O50 A1AAN 46 
A1AAN O51 O13 O 0 1 N N N N N N -21.488 -10.972 38.540 -0.400  -0.071 -0.494 O51 A1AAN 47 
A1AAN P02 P1  P 0 1 N N N N N N -20.052 -11.339 38.261 -0.779  1.359  -0.488 P02 A1AAN 48 
A1AAN P29 P2  P 0 1 N N N N N N -20.435 -9.427  47.433 7.219   -3.024 0.454  P29 A1AAN 49 
A1AAN P32 P3  P 0 1 N N N N N N -23.208 -8.802  46.773 9.078   -5.142 -0.466 P32 A1AAN 50 
A1AAN S24 S1  S 0 1 Y N N N N N -19.721 -10.084 41.801 2.224   0.507  -0.604 S24 A1AAN 51 
A1AAN H1  H1  H 0 1 N N N N N N -25.281 -13.538 32.463 -9.735  -0.401 0.935  H1  A1AAN 52 
A1AAN H2  H2  H 0 1 N N N N N N -24.174 -14.334 33.632 -10.149 -0.063 -0.762 H2  A1AAN 53 
A1AAN H3  H3  H 0 1 N N N N N N -26.593 -9.554  34.538 -13.712 -2.934 -1.768 H3  A1AAN 54 
A1AAN H4  H4  H 0 1 N N N N N N -23.602 -11.173 37.118 -12.743 -3.712 2.312  H4  A1AAN 55 
A1AAN H5  H5  H 0 1 N N N N N N -19.052 -13.242 36.485 -3.230  -0.256 -0.469 H5  A1AAN 56 
A1AAN H6  H6  H 0 1 N N N N N N -17.797 -11.957 36.489 -3.488  1.102  -1.590 H6  A1AAN 57 
A1AAN H7  H7  H 0 1 N N N N N N -17.932 -12.709 34.213 -4.588  0.905  1.250  H7  A1AAN 58 
A1AAN H8  H8  H 0 1 N N N N N N -18.824 -11.151 34.262 -4.846  2.263  0.129  H8  A1AAN 59 
A1AAN H9  H9  H 0 1 N N N N N N -23.287 -11.964 31.930 -8.980  -2.187 -1.421 H9  A1AAN 60 
A1AAN H10 H10 H 0 1 N N N N N N -26.179 -11.361 32.914 -11.751 -1.456 -1.952 H10 A1AAN 61 
A1AAN H11 H11 H 0 1 N N N N N N -25.309 -9.460  36.637 -14.209 -4.060 0.364  H11 A1AAN 62 
A1AAN H12 H12 H 0 1 N N N N N N -23.187 -12.982 35.494 -10.773 -2.247 2.123  H12 A1AAN 63 
A1AAN H13 H13 H 0 1 N N N N N N -21.153 -11.246 33.015 -6.740  -0.588 1.276  H13 A1AAN 64 
A1AAN H14 H14 H 0 1 N N N N N N -20.873 -11.812 44.203 4.838   -0.370 -1.788 H14 A1AAN 65 
A1AAN H15 H15 H 0 1 N N N N N N -19.300 -12.517 44.708 5.952   0.738  -0.952 H15 A1AAN 66 
A1AAN H16 H16 H 0 1 N N N N N N -18.450 -10.253 45.299 5.718   -0.593 1.127  H16 A1AAN 67 
A1AAN H17 H17 H 0 1 N N N N N N -19.986 -9.512  44.734 4.604   -1.702 0.291  H17 A1AAN 68 
A1AAN H18 H18 H 0 1 N N N N N N -16.630 -12.949 43.425 5.695   3.180  0.177  H18 A1AAN 69 
A1AAN H19 H19 H 0 1 N N N N N N -18.209 -13.800 43.519 5.123   3.107  1.860  H19 A1AAN 70 
A1AAN H20 H20 H 0 1 N N N N N N -17.184 -13.967 42.053 6.001   1.727  1.158  H20 A1AAN 71 
A1AAN H21 H21 H 0 1 N N N N N N -16.990 -12.004 39.149 3.522   3.632  2.389  H21 A1AAN 72 
A1AAN H22 H22 H 0 1 N N N N N N -16.931 -13.359 40.327 1.754   3.615  2.189  H22 A1AAN 73 
A1AAN H23 H23 H 0 1 N N N N N N -14.751 -13.881 40.873 4.826   4.555  0.220  H23 A1AAN 74 
A1AAN H24 H24 H 0 1 N N N N N N -11.272 -9.799  41.705 2.736   8.078  -2.575 H24 A1AAN 75 
A1AAN H25 H25 H 0 1 N N N N N N -11.208 -11.281 42.716 2.375   9.084  -1.153 H25 A1AAN 76 
A1AAN H26 H26 H 0 1 N N N N N N -10.712 -11.349 40.991 4.062   8.683  -1.554 H26 A1AAN 77 
A1AAN H27 H27 H 0 1 N N N N N N -18.856 -8.032  39.560 0.603   2.611  2.722  H27 A1AAN 78 
A1AAN H28 H28 H 0 1 N N N N N N -19.683 -8.454  38.022 -1.064  2.221  2.235  H28 A1AAN 79 
A1AAN H29 H29 H 0 1 N N N N N N -20.489 -8.780  39.594 0.171   0.941  2.285  H29 A1AAN 80 
A1AAN H30 H30 H 0 1 N N N N N N -15.332 -8.554  40.469 0.464   4.731  1.983  H30 A1AAN 81 
A1AAN H31 H31 H 0 1 N N N N N N -16.152 -9.504  39.424 -0.293  5.958  1.121  H31 A1AAN 82 
A1AAN H32 H32 H 0 1 N N N N N N -20.570 -13.086 39.171 -0.909  2.884  -2.055 H32 A1AAN 83 
A1AAN H33 H33 H 0 1 N N N N N N -22.194 -14.813 29.747 -9.003  -4.227 1.627  H33 A1AAN 84 
A1AAN H34 H34 H 0 1 N N N N N N -20.343 -9.685  49.452 8.566   -1.849 1.717  H34 A1AAN 85 
A1AAN H35 H35 H 0 1 N N N N N N -24.471 -7.233  46.472 7.914   -5.989 -2.117 H35 A1AAN 86 
A1AAN H36 H36 H 0 1 N N N N N N -23.946 -10.623 47.302 10.963  -5.877 -1.303 H36 A1AAN 87 
A1AAN H37 H37 H 0 1 N N N N N N -17.103 -9.476  38.787 0.347   3.928  -0.571 H37 A1AAN 88 
# 
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 
A1AAN O19 C17 DOUB N N 1  
A1AAN O18 C17 SING N N 2  
A1AAN C17 C09 SING N N 3  
A1AAN C09 N08 SING N N 4  
A1AAN C09 C10 SING N N 5  
A1AAN N08 C07 SING Y N 6  
A1AAN N08 N20 SING Y N 7  
A1AAN C10 C11 SING N N 8  
A1AAN C07 C06 DOUB Y N 9  
A1AAN N20 N21 DOUB Y N 10 
A1AAN C12 C11 DOUB Y N 11 
A1AAN C12 C13 SING Y N 12 
A1AAN C06 N21 SING Y N 13 
A1AAN C06 C05 SING N N 14 
A1AAN C11 C16 SING Y N 15 
A1AAN C05 C04 SING N N 16 
A1AAN C13 C14 DOUB Y N 17 
A1AAN C16 C15 DOUB Y N 18 
A1AAN C14 C15 SING Y N 19 
A1AAN C04 O03 SING N N 20 
A1AAN O03 P02 SING N N 21 
A1AAN P02 O51 DOUB N N 22 
A1AAN P02 O01 SING N N 23 
A1AAN P02 C22 SING N N 24 
A1AAN O50 C22 SING N N 25 
A1AAN C49 C22 SING N N 26 
A1AAN C22 C23 SING N N 27 
A1AAN C40 C41 SING N N 28 
A1AAN C40 N39 SING N N 29 
A1AAN N48 C47 SING N N 30 
A1AAN C23 N39 DOUB Y N 31 
A1AAN C23 S24 SING Y N 32 
A1AAN C41 C47 DOUB Y N 33 
A1AAN C41 C42 SING Y N 34 
A1AAN C47 N46 SING Y N 35 
A1AAN C42 N43 DOUB Y N 36 
A1AAN N39 C37 SING Y N 37 
A1AAN N46 C44 DOUB Y N 38 
A1AAN N43 C44 SING Y N 39 
A1AAN C44 C45 SING N N 40 
A1AAN S24 C25 SING Y N 41 
A1AAN C37 C38 SING N N 42 
A1AAN C37 C25 DOUB Y N 43 
A1AAN C25 C26 SING N N 44 
A1AAN C26 C27 SING N N 45 
A1AAN C27 O28 SING N N 46 
A1AAN O35 P32 DOUB N N 47 
A1AAN O28 P29 SING N N 48 
A1AAN O31 P32 SING N N 49 
A1AAN O31 P29 SING N N 50 
A1AAN P32 O33 SING N N 51 
A1AAN P32 O34 SING N N 52 
A1AAN P29 O36 DOUB N N 53 
A1AAN P29 O30 SING N N 54 
A1AAN C10 H1  SING N N 55 
A1AAN C10 H2  SING N N 56 
A1AAN C13 H3  SING N N 57 
A1AAN C15 H4  SING N N 58 
A1AAN C04 H5  SING N N 59 
A1AAN C04 H6  SING N N 60 
A1AAN C05 H7  SING N N 61 
A1AAN C05 H8  SING N N 62 
A1AAN C09 H9  SING N N 63 
A1AAN C12 H10 SING N N 64 
A1AAN C14 H11 SING N N 65 
A1AAN C16 H12 SING N N 66 
A1AAN C07 H13 SING N N 67 
A1AAN C26 H14 SING N N 68 
A1AAN C26 H15 SING N N 69 
A1AAN C27 H16 SING N N 70 
A1AAN C27 H17 SING N N 71 
A1AAN C38 H18 SING N N 72 
A1AAN C38 H19 SING N N 73 
A1AAN C38 H20 SING N N 74 
A1AAN C40 H21 SING N N 75 
A1AAN C40 H22 SING N N 76 
A1AAN C42 H23 SING N N 77 
A1AAN C45 H24 SING N N 78 
A1AAN C45 H25 SING N N 79 
A1AAN C45 H26 SING N N 80 
A1AAN C49 H27 SING N N 81 
A1AAN C49 H28 SING N N 82 
A1AAN C49 H29 SING N N 83 
A1AAN N48 H30 SING N N 84 
A1AAN N48 H31 SING N N 85 
A1AAN O01 H32 SING N N 86 
A1AAN O18 H33 SING N N 87 
A1AAN O30 H34 SING N N 88 
A1AAN O33 H35 SING N N 89 
A1AAN O34 H36 SING N N 90 
A1AAN O50 H37 SING N N 91 
# 
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 
A1AAN SMILES           ACDLabs              12.01 "OP(=O)(OCCc1cn(nn1)C(Cc1ccccc1)C(=O)O)C(C)(O)c1sc(CCOP(=O)(O)OP(=O)(O)O)c(C)[n+]1Cc1cnc(C)nc1N"                                                                                                                                                                                      
A1AAN InChI            InChI                1.06  "InChI=1S/C27H36N7O13P3S/c1-17-23(10-12-46-50(43,44)47-49(40,41)42)51-26(33(17)15-20-14-29-18(2)30-24(20)28)27(3,37)48(38,39)45-11-9-21-16-34(32-31-21)22(25(35)36)13-19-7-5-4-6-8-19/h4-8,14,16,22,37H,9-13,15H2,1-3H3,(H6-,28,29,30,35,36,38,39,40,41,42,43,44)/p+1/t22-,27+/m1/s1" 
A1AAN InChIKey         InChI                1.06  SNCWGRJABBQATK-AMGIVPHBSA-O                                                                                                                                                                                                                                                           
A1AAN SMILES_CANONICAL CACTVS               3.385 "Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[C@@](C)(O)[P](O)(=O)OCCc3cn(nn3)[C@H](Cc4ccccc4)C(O)=O)c(N)n1"                                                                                                                                                                      
A1AAN SMILES           CACTVS               3.385 "Cc1ncc(C[n+]2c(C)c(CCO[P](O)(=O)O[P](O)(O)=O)sc2[C](C)(O)[P](O)(=O)OCCc3cn(nn3)[CH](Cc4ccccc4)C(O)=O)c(N)n1"                                                                                                                                                                         
A1AAN SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](C)(O)P(=O)(O)OCCc3cn(nn3)[C@H](Cc4ccccc4)C(=O)O)CCOP(=O)(O)OP(=O)(O)O"                                                                                                                                                                              
A1AAN SMILES           "OpenEye OEToolkits" 2.0.7 "Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(C)(O)P(=O)(O)OCCc3cn(nn3)C(Cc4ccccc4)C(=O)O)CCOP(=O)(O)OP(=O)(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 
A1AAN "SYSTEMATIC NAME" ACDLabs              12.01 "3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-[(S)-(2-{1-[(1R)-1-carboxy-2-phenylethyl]-1H-1,2,3-triazol-4-yl}ethoxy)(hydroxy)phosphoryl]-1-hydroxyethyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium"       
A1AAN "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "(2~{R})-2-[4-[2-[[(1~{S})-1-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1-oxidanyl-ethyl]-oxidanyl-phosphoryl]oxyethyl]-1,2,3-triazol-1-yl]-3-phenyl-propanoic acid" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1AAN "Create component" 2023-12-17 RCSB 
A1AAN "Initial release"  2024-04-24 RCSB 
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