data_A1D88
# 
_chem_comp.id                                    A1D88 
_chem_comp.name                                  "S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (E)-but-2-enethioate" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C25 H40 N7 O17 P3 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "crotonoyl-CoA ; crotonyl-coenzyme A " 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-06-12 
_chem_comp.pdbx_modified_date                    2025-04-25 
_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                        835.608 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1D88 
_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        8ZRY 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBC 
_chem_comp.pdbx_pcm                              ? 
# 
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 
A1D88 P23 P1  P 0 1 N N N N N N 115.743 77.450 75.451 -0.893  -3.457 -1.694 P23 A1D88 1  
A1D88 P27 P2  P 0 1 N N N N N N 117.186 75.621 77.234 -3.702  -2.523 -1.551 P27 A1D88 2  
A1D88 P49 P3  P 0 1 N N N N N N 120.648 71.652 79.883 -9.002  -1.816 2.018  P49 A1D88 3  
A1D88 C01 C1  C 0 1 N N N N N N 114.617 85.135 93.010 17.593  4.913  -0.440 C01 A1D88 4  
A1D88 C02 C2  C 0 1 N N N N N N 114.876 84.293 91.774 16.399  4.051  -0.761 C02 A1D88 5  
A1D88 C03 C3  C 0 1 N N N N N N 113.872 83.865 91.094 15.566  3.682  0.208  C03 A1D88 6  
A1D88 C04 C4  C 0 1 N N N N N N 114.177 83.043 89.871 14.401  2.840  -0.105 C04 A1D88 7  
A1D88 O05 O1  O 0 1 N N N N N N 114.903 83.440 89.053 14.199  2.482  -1.251 O05 A1D88 8  
A1D88 S06 S1  S 0 1 N N N N N N 113.399 81.419 89.607 13.297  2.351  1.178  S06 A1D88 9  
A1D88 C07 C5  C 0 1 N N N N N N 113.846 80.857 87.935 12.114  1.372  0.219  C07 A1D88 10 
A1D88 C08 C6  C 0 1 N N N N N N 113.105 81.759 86.958 11.030  0.827  1.150  C08 A1D88 11 
A1D88 N09 N1  N 0 1 N N N N N N 113.727 81.725 85.667 10.073  0.035  0.374  N09 A1D88 12 
A1D88 C10 C7  C 0 1 N N N N N N 113.119 80.834 84.697 9.024   -0.548 0.989  C10 A1D88 13 
A1D88 O11 O2  O 0 1 N N N N N N 112.151 80.195 84.962 8.873   -0.416 2.185  O11 A1D88 14 
A1D88 C12 C8  C 0 1 N N N N N N 113.734 80.764 83.295 8.040   -1.363 0.191  C12 A1D88 15 
A1D88 C13 C9  C 0 1 N N N N N N 114.157 79.323 83.103 6.955   -1.908 1.122  C13 A1D88 16 
A1D88 N14 N2  N 0 1 N N N N N N 114.748 79.068 81.787 5.998   -2.700 0.346  N14 A1D88 17 
A1D88 C15 C10 C 0 1 N N N N N N 113.904 78.825 80.649 4.950   -3.282 0.961  C15 A1D88 18 
A1D88 O16 O3  O 0 1 N N N N N N 112.745 78.848 80.772 4.849   -3.229 2.169  O16 A1D88 19 
A1D88 C17 C11 C 0 1 N N R N N N 114.512 78.544 79.252 3.902   -4.000 0.149  C17 A1D88 20 
A1D88 C18 C12 C 0 1 N N N N N N 114.786 79.834 78.388 2.612   -3.178 0.142  C18 A1D88 21 
A1D88 C19 C13 C 0 1 N N N N N N 113.443 80.456 78.027 2.032   -3.128 1.556  C19 A1D88 22 
A1D88 C20 C14 C 0 1 N N N N N N 115.652 80.891 79.147 2.914   -1.757 -0.337 C20 A1D88 23 
A1D88 C21 C15 C 0 1 N N N N N N 115.498 79.471 77.073 1.598   -3.829 -0.802 C21 A1D88 24 
A1D88 O22 O4  O 0 1 N N N N N N 114.920 78.306 76.579 0.393   -3.062 -0.808 O22 A1D88 25 
A1D88 O24 O5  O 0 1 N N N N N N 116.214 78.377 74.362 -1.301  -4.845 -1.380 O24 A1D88 26 
A1D88 O25 O6  O 0 1 N N N N N N 114.879 76.371 74.903 -0.523  -3.347 -3.257 O25 A1D88 27 
A1D88 O26 O7  O 0 1 N N N N N N 117.065 76.772 76.089 -2.105  -2.453 -1.357 O26 A1D88 28 
A1D88 O28 O8  O 0 1 N N N N N N 117.748 74.402 76.567 -4.194  -3.850 -1.119 O28 A1D88 29 
A1D88 O29 O9  O 0 1 N N N N N N 115.947 75.255 77.948 -4.065  -2.295 -3.103 O29 A1D88 30 
A1D88 O30 O10 O 0 1 N N N N N N 118.375 76.166 78.190 -4.401  -1.376 -0.663 O30 A1D88 31 
A1D88 C31 C16 C 0 1 N N N N N N 119.635 75.809 77.769 -5.819  -1.243 -0.539 C31 A1D88 32 
A1D88 C32 C17 C 0 1 N N R N N N 120.339 75.279 79.024 -6.142  -0.058 0.373  C32 A1D88 33 
A1D88 C33 C18 C 0 1 N N S N N N 119.531 74.062 79.612 -7.664  0.029  0.622  C33 A1D88 34 
A1D88 C34 C19 C 0 1 N N R N N N 118.747 74.689 80.746 -7.955  1.546  0.644  C34 A1D88 35 
A1D88 C35 C20 C 0 1 N N R N N N 119.621 75.564 81.256 -6.575  2.197  0.405  C35 A1D88 36 
A1D88 O36 O11 O 0 1 N N N N N N 120.239 76.224 79.919 -5.804  1.185  -0.280 O36 A1D88 37 
A1D88 N37 N3  N 0 1 Y N N N N N 118.874 76.592 82.004 -6.711  3.389  -0.435 N37 A1D88 38 
A1D88 C38 C21 C 0 1 Y N N N N N 118.102 77.537 81.481 -6.563  3.444  -1.789 C38 A1D88 39 
A1D88 N39 N4  N 0 1 Y N N N N N 117.583 78.259 82.444 -6.754  4.661  -2.208 N39 A1D88 40 
A1D88 C40 C22 C 0 1 Y N N N N N 118.017 77.774 83.598 -7.036  5.462  -1.153 C40 A1D88 41 
A1D88 C41 C23 C 0 1 Y N N N N N 117.816 78.082 84.948 -7.324  6.829  -0.999 C41 A1D88 42 
A1D88 N42 N5  N 0 1 Y N N N N N 118.423 77.347 85.818 -7.560  7.293  0.223  N42 A1D88 43 
A1D88 C43 C24 C 0 1 Y N N N N N 119.200 76.326 85.503 -7.526  6.496  1.276  C43 A1D88 44 
A1D88 N44 N6  N 0 1 Y N N N N N 119.429 75.995 84.254 -7.260  5.210  1.180  N44 A1D88 45 
A1D88 C45 C25 C 0 1 Y N N N N N 118.845 76.695 83.308 -7.018  4.655  -0.004 C45 A1D88 46 
A1D88 N46 N7  N 0 1 N N N N N N 116.986 79.175 85.408 -7.361  7.673  -2.096 N46 A1D88 47 
A1D88 O47 O12 O 0 1 N N N N N N 118.302 73.735 81.631 -8.480  1.937  1.914  O47 A1D88 48 
A1D88 O48 O13 O 0 1 N N N N N N 120.467 73.230 80.245 -8.000  -0.563 1.879  O48 A1D88 49 
A1D88 O50 O14 O 0 1 N N N N N N 119.344 70.921 79.988 -9.047  -2.300 3.553  O50 A1D88 50 
A1D88 O51 O15 O 0 1 N N N N N N 121.640 71.109 80.855 -10.479 -1.376 1.551  O51 A1D88 51 
A1D88 O52 O16 O 0 1 N N N N N N 121.150 71.531 78.476 -8.526  -2.926 1.164  O52 A1D88 52 
A1D88 O53 O17 O 0 1 N N N N N N 115.655 77.792 79.458 4.370   -4.164 -1.192 O53 A1D88 53 
A1D88 H1  H1  H 0 1 N N N N N N 115.576 85.416 93.470 18.154  5.111  -1.353 H1  A1D88 54 
A1D88 H2  H2  H 0 1 N N N N N N 114.066 86.044 92.726 17.255  5.856  -0.009 H2  A1D88 55 
A1D88 H3  H3  H 0 1 N N N N N N 114.021 84.555 93.730 18.233  4.396  0.275  H3  A1D88 56 
A1D88 H4  H4  H 0 1 N N N N N N 115.886 84.058 91.471 16.220  3.733  -1.777 H4  A1D88 57 
A1D88 H5  H5  H 0 1 N N N N N N 112.856 84.085 91.387 15.745  3.999  1.224  H5  A1D88 58 
A1D88 H6  H6  H 0 1 N N N N N N 113.539 79.810 87.792 11.656  2.001  -0.544 H6  A1D88 59 
A1D88 H7  H7  H 0 1 N N N N N N 114.932 80.945 87.783 12.634  0.542  -0.260 H7  A1D88 60 
A1D88 H8  H8  H 0 1 N N N N N N 113.118 82.791 87.338 11.488  0.197  1.913  H8  A1D88 61 
A1D88 H9  H9  H 0 1 N N N N N N 112.064 81.415 86.867 10.511  1.657  1.629  H9  A1D88 62 
A1D88 H10 H10 H 0 1 N N N N N N 114.529 82.280 85.449 10.193  -0.071 -0.583 H10 A1D88 63 
A1D88 H11 H11 H 0 1 N N N N N N 114.605 81.432 83.225 7.581   -0.733 -0.572 H11 A1D88 64 
A1D88 H12 H12 H 0 1 N N N N N N 112.991 81.050 82.536 8.559   -2.193 -0.288 H12 A1D88 65 
A1D88 H13 H13 H 0 1 N N N N N N 113.272 78.680 83.220 7.414   -2.537 1.885  H13 A1D88 66 
A1D88 H14 H14 H 0 1 N N N N N N 114.899 79.070 83.875 6.436   -1.077 1.601  H14 A1D88 67 
A1D88 H15 H15 H 0 1 N N N N N N 115.742 79.063 81.680 6.119   -2.805 -0.611 H15 A1D88 68 
A1D88 H16 H16 H 0 1 N N N N N N 113.779 77.941 78.697 3.708   -4.978 0.589  H16 A1D88 69 
A1D88 H17 H17 H 0 1 N N N N N N 112.905 80.729 78.947 1.073   -2.609 1.538  H17 A1D88 70 
A1D88 H18 H18 H 0 1 N N N N N N 113.608 81.357 77.418 1.889   -4.143 1.927  H18 A1D88 71 
A1D88 H19 H19 H 0 1 N N N N N N 112.846 79.731 77.454 2.720   -2.595 2.212  H19 A1D88 72 
A1D88 H20 H20 H 0 1 N N N N N N 115.157 81.162 80.091 3.327   -1.793 -1.345 H20 A1D88 73 
A1D88 H21 H21 H 0 1 N N N N N N 116.644 80.466 79.362 1.994   -1.172 -0.342 H21 A1D88 74 
A1D88 H22 H22 H 0 1 N N N N N N 115.766 81.789 78.522 3.636   -1.293 0.335  H22 A1D88 75 
A1D88 H23 H23 H 0 1 N N N N N N 116.569 79.305 77.262 2.011   -3.865 -1.810 H23 A1D88 76 
A1D88 H24 H24 H 0 1 N N N N N N 115.376 80.286 76.345 1.383   -4.842 -0.461 H24 A1D88 77 
A1D88 H25 H25 H 0 1 N N N N N N 114.793 76.480 73.963 -0.247  -2.463 -3.534 H25 A1D88 78 
A1D88 H26 H26 H 0 1 N N N N N N 115.775 74.328 77.830 -3.771  -1.443 -3.455 H26 A1D88 79 
A1D88 H27 H27 H 0 1 N N N N N N 119.578 75.026 76.998 -6.255  -1.074 -1.523 H27 A1D88 80 
A1D88 H28 H28 H 0 1 N N N N N N 120.169 76.682 77.366 -6.233  -2.156 -0.109 H28 A1D88 81 
A1D88 H29 H29 H 0 1 N N N N N N 121.370 74.974 78.793 -5.607  -0.150 1.318  H29 A1D88 82 
A1D88 H30 H30 H 0 1 N N N N N N 118.897 73.573 78.858 -8.212  -0.456 -0.186 H30 A1D88 83 
A1D88 H31 H31 H 0 1 N N N N N N 117.888 75.219 80.309 -8.647  1.814  -0.155 H31 A1D88 84 
A1D88 H32 H32 H 0 1 N N N N N N 120.421 75.111 81.860 -6.107  2.454  1.355  H32 A1D88 85 
A1D88 H33 H33 H 0 1 N N N N N N 117.929 77.688 80.426 -6.323  2.601  -2.420 H33 A1D88 86 
A1D88 H34 H34 H 0 1 N N N N N N 119.658 75.749 86.293 -7.723  6.914  2.251  H34 A1D88 87 
A1D88 H35 H35 H 0 1 N N N N N N 117.002 79.208 86.407 -7.187  7.322  -2.984 H35 A1D88 88 
A1D88 H36 H36 H 0 1 N N N N N N 117.336 80.037 85.040 -7.561  8.615  -1.977 H36 A1D88 89 
A1D88 H37 H37 H 0 1 N N N N N N 117.815 74.154 82.331 -8.681  2.881  1.983  H37 A1D88 90 
A1D88 H38 H38 H 0 1 N N N N N N 119.123 70.544 79.145 -9.632  -3.053 3.711  H38 A1D88 91 
A1D88 H39 H39 H 0 1 N N N N N N 122.402 70.790 80.386 -10.855 -0.650 2.068  H39 A1D88 92 
A1D88 H40 H40 H 0 1 N N N N N N 115.442 77.028 79.981 4.563   -3.333 -1.646 H40 A1D88 93 
# 
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 
A1D88 O24 P23 DOUB N N 1  
A1D88 O25 P23 SING N N 2  
A1D88 P23 O26 SING N N 3  
A1D88 P23 O22 SING N N 4  
A1D88 O26 P27 SING N N 5  
A1D88 O28 P27 DOUB N N 6  
A1D88 O22 C21 SING N N 7  
A1D88 C21 C18 SING N N 8  
A1D88 P27 O29 SING N N 9  
A1D88 P27 O30 SING N N 10 
A1D88 C31 O30 SING N N 11 
A1D88 C31 C32 SING N N 12 
A1D88 C19 C18 SING N N 13 
A1D88 C18 C20 SING N N 14 
A1D88 C18 C17 SING N N 15 
A1D88 O52 P49 DOUB N N 16 
A1D88 C32 C33 SING N N 17 
A1D88 C32 O36 SING N N 18 
A1D88 C17 O53 SING N N 19 
A1D88 C17 C15 SING N N 20 
A1D88 C33 O48 SING N N 21 
A1D88 C33 C34 SING N N 22 
A1D88 P49 O50 SING N N 23 
A1D88 P49 O48 SING N N 24 
A1D88 P49 O51 SING N N 25 
A1D88 O36 C35 SING N N 26 
A1D88 C15 O16 DOUB N N 27 
A1D88 C15 N14 SING N N 28 
A1D88 C34 C35 SING N N 29 
A1D88 C34 O47 SING N N 30 
A1D88 C35 N37 SING N N 31 
A1D88 C38 N37 SING Y N 32 
A1D88 C38 N39 DOUB Y N 33 
A1D88 N14 C13 SING N N 34 
A1D88 N37 C45 SING Y N 35 
A1D88 N39 C40 SING Y N 36 
A1D88 C13 C12 SING N N 37 
A1D88 C12 C10 SING N N 38 
A1D88 C45 C40 DOUB Y N 39 
A1D88 C45 N44 SING Y N 40 
A1D88 C40 C41 SING Y N 41 
A1D88 N44 C43 DOUB Y N 42 
A1D88 C10 O11 DOUB N N 43 
A1D88 C10 N09 SING N N 44 
A1D88 C41 N46 SING N N 45 
A1D88 C41 N42 DOUB Y N 46 
A1D88 C43 N42 SING Y N 47 
A1D88 N09 C08 SING N N 48 
A1D88 C08 C07 SING N N 49 
A1D88 C07 S06 SING N N 50 
A1D88 O05 C04 DOUB N N 51 
A1D88 S06 C04 SING N N 52 
A1D88 C04 C03 SING N N 53 
A1D88 C03 C02 DOUB N E 54 
A1D88 C02 C01 SING N N 55 
A1D88 C01 H1  SING N N 56 
A1D88 C01 H2  SING N N 57 
A1D88 C01 H3  SING N N 58 
A1D88 C02 H4  SING N N 59 
A1D88 C03 H5  SING N N 60 
A1D88 C07 H6  SING N N 61 
A1D88 C07 H7  SING N N 62 
A1D88 C08 H8  SING N N 63 
A1D88 C08 H9  SING N N 64 
A1D88 N09 H10 SING N N 65 
A1D88 C12 H11 SING N N 66 
A1D88 C12 H12 SING N N 67 
A1D88 C13 H13 SING N N 68 
A1D88 C13 H14 SING N N 69 
A1D88 N14 H15 SING N N 70 
A1D88 C17 H16 SING N N 71 
A1D88 C19 H17 SING N N 72 
A1D88 C19 H18 SING N N 73 
A1D88 C19 H19 SING N N 74 
A1D88 C20 H20 SING N N 75 
A1D88 C20 H21 SING N N 76 
A1D88 C20 H22 SING N N 77 
A1D88 C21 H23 SING N N 78 
A1D88 C21 H24 SING N N 79 
A1D88 O25 H25 SING N N 80 
A1D88 O29 H26 SING N N 81 
A1D88 C31 H27 SING N N 82 
A1D88 C31 H28 SING N N 83 
A1D88 C32 H29 SING N N 84 
A1D88 C33 H30 SING N N 85 
A1D88 C34 H31 SING N N 86 
A1D88 C35 H32 SING N N 87 
A1D88 C38 H33 SING N N 88 
A1D88 C43 H34 SING N N 89 
A1D88 N46 H35 SING N N 90 
A1D88 N46 H36 SING N N 91 
A1D88 O47 H37 SING N N 92 
A1D88 O50 H38 SING N N 93 
A1D88 O51 H39 SING N N 94 
A1D88 O53 H40 SING N N 95 
# 
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 
A1D88 InChI            InChI                1.06  "InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b5-4+/t14-,18-,19-,20+,24-/m1/s1" 
A1D88 InChIKey         InChI                1.06  KFWWCMJSYSSPSK-PAXLJYGASA-N                                                                                                                                                                                                                                                                                                       
A1D88 SMILES_CANONICAL CACTVS               3.385 "C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23"                                                                                                                                                                                                   
A1D88 SMILES           CACTVS               3.385 "CC=CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23"                                                                                                                                                                                                           
A1D88 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O"                                                                                                                                                                                                       
A1D88 SMILES           "OpenEye OEToolkits" 2.0.7 "CC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O"                                                                                                                                                                                                                                
# 
_pdbx_chem_comp_identifier.comp_id           A1D88 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   2.0.7 
_pdbx_chem_comp_identifier.identifier        "~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] (~{E})-but-2-enethioate" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1D88 "Create component" 2024-06-12 PDBC 
A1D88 "Initial release"  2025-04-30 RCSB 
# 
loop_
_pdbx_chem_comp_synonyms.ordinal 
_pdbx_chem_comp_synonyms.comp_id 
_pdbx_chem_comp_synonyms.name 
_pdbx_chem_comp_synonyms.provenance 
_pdbx_chem_comp_synonyms.type 
1 A1D88 "crotonoyl-CoA "       PUBCHEM ? 
2 A1D88 "crotonyl-coenzyme A " PUBCHEM ? 
# 
