data_IRC # _chem_comp.id IRC _chem_comp.name ;S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl ]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (2R)-2-hydroxy-4-methyl-pentanethioate ; _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C27 H46 N7 O18 P3 S" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "(R)-2-hydroxy-4-methylpentanoyl-CoA" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2010-07-28 _chem_comp.pdbx_modified_date 2020-06-17 _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 881.677 _chem_comp.one_letter_code ? _chem_comp.three_letter_code IRC _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 3O3N _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 IRC N1A N1A N 0 1 Y N N 61.162 0.189 -1.975 4.811 -7.709 0.224 N1A IRC 1 IRC O1A O1A O 0 1 N N N 52.667 7.310 -2.543 5.297 2.763 -2.228 O1A IRC 2 IRC P1A P1A P 0 1 N N N 53.683 7.402 -1.456 5.282 2.906 -0.755 P1A IRC 3 IRC C1B C1B C 0 1 N N R 58.551 4.903 -2.083 6.312 -2.741 0.427 C1B IRC 4 IRC S1P S1P S 0 1 N N N 40.372 13.152 5.858 -11.729 -1.378 0.588 S1P IRC 5 IRC C2A C2A C 0 1 Y N N 61.397 1.359 -2.697 5.411 -7.068 1.210 C2A IRC 6 IRC O2A O2A O 0 1 N N N 54.628 8.515 -1.742 6.362 4.016 -0.313 O2A IRC 7 IRC P2A P2A P 0 1 N N N 53.112 9.072 0.618 2.720 4.392 -0.850 P2A IRC 8 IRC C2B C2B C 0 1 N N R 58.480 4.978 -3.652 7.840 -2.750 0.206 C2B IRC 9 IRC O2B O2B O 0 1 N N N 59.736 5.333 -4.152 8.496 -3.444 1.269 O2B IRC 10 IRC C2P C2P C 0 1 N N N 42.035 13.584 6.273 -10.408 -0.546 -0.328 C2P IRC 11 IRC N3A N3A N 0 1 Y N N 60.696 2.541 -2.690 5.739 -5.796 1.129 N3A IRC 12 IRC O3A O3A O 0 1 N N N 52.905 7.585 0.021 3.815 3.363 -0.274 O3A IRC 13 IRC C3B C3B C 0 1 N N S 57.292 5.981 -3.951 8.229 -1.255 0.211 C3B IRC 14 IRC O3B O3B O 0 1 N N N 57.698 7.174 -4.559 9.137 -0.977 1.278 O3B IRC 15 IRC P3B P3B P 0 1 N N N 58.638 8.337 -3.640 10.605 -0.358 1.043 P3B IRC 16 IRC C3P C3P C 0 1 N N N 43.379 13.019 5.821 -9.502 0.202 0.652 C3P IRC 17 IRC C4A C4A C 0 1 Y N N 59.582 2.543 -1.820 5.473 -5.096 0.031 C4A IRC 18 IRC O4A O4A O 0 1 N N N 54.382 9.245 1.367 3.190 5.902 -0.547 O4A IRC 19 IRC C4B C4B C 0 1 N N R 56.601 6.206 -2.570 6.890 -0.519 0.434 C4B IRC 20 IRC O4B O4B O 0 1 N N N 57.410 5.591 -1.539 5.880 -1.441 -0.032 O4B IRC 21 IRC N4P N4P N 0 1 N N N 43.906 12.402 4.640 -8.432 0.876 -0.089 N4P IRC 22 IRC C5A C5A C 0 1 Y N N 59.212 1.357 -0.986 4.835 -5.733 -1.047 C5A IRC 23 IRC O5A O5A O 0 1 N N N 53.017 10.105 -0.466 2.584 4.202 -2.312 O5A IRC 24 IRC C5B C5B C 0 1 N N N 55.176 5.618 -2.549 6.848 0.773 -0.384 C5B IRC 25 IRC O5B O5B O 0 1 N N N 54.483 5.948 -1.358 5.654 1.495 -0.075 O5B IRC 26 IRC C5P C5P C 0 1 N N N 45.210 12.365 4.228 -7.508 1.601 0.571 C5P IRC 27 IRC O5P O5P O 0 1 N N N 46.336 12.758 4.630 -7.562 1.696 1.779 O5P IRC 28 IRC C6A C6A C 0 1 Y N N 60.055 0.180 -1.104 4.504 -7.092 -0.913 C6A IRC 29 IRC N6A N6A N 0 1 N N N 59.757 -0.964 -0.339 3.876 -7.773 -1.941 N6A IRC 30 IRC O6A O6A O 0 1 N N N 51.819 9.305 1.707 1.301 4.119 -0.140 O6A IRC 31 IRC C6P C6P C 0 1 N N N 45.812 11.752 2.974 -6.408 2.293 -0.191 C6P IRC 32 IRC N7A N7A N 0 1 Y N N 58.077 1.646 -0.233 4.684 -4.808 -2.025 N7A IRC 33 IRC O7A O7A O 0 1 N N N 60.019 8.683 -4.066 10.471 1.129 0.441 O7A IRC 34 IRC C7P C7P C 0 1 N N N 45.985 11.977 1.472 -5.502 3.042 0.789 C7P IRC 35 IRC C8A C8A C 0 1 Y N N 57.747 2.918 -0.559 5.177 -3.671 -1.626 C8A IRC 36 IRC O8A O8A O 0 1 N N N 57.794 9.268 -2.764 11.394 -0.301 2.445 O8A IRC 37 IRC N8P N8P N 0 1 N N N 46.133 10.732 0.734 -4.432 3.715 0.048 N8P IRC 38 IRC N9A N9A N 0 1 Y N N 58.615 3.523 -1.514 5.676 -3.798 -0.363 N9A IRC 39 IRC O9A O9A O 0 1 N N N 58.135 9.035 -4.887 11.352 -1.210 0.091 O9A IRC 40 IRC C9P C9P C 0 1 N N N 47.122 10.435 -0.215 -3.508 4.440 0.708 C9P IRC 41 IRC O9P O9P O 0 1 N N N 46.770 9.953 -1.318 -3.615 4.615 1.903 O9P IRC 42 IRC CAP CAP C 0 1 N N R 48.637 10.691 0.102 -2.342 5.035 -0.039 CAP IRC 43 IRC OAP OAP O 0 1 N N N 49.105 11.248 -1.125 -2.554 4.893 -1.445 OAP IRC 44 IRC CBP CBP C 0 1 N N N 49.449 9.486 0.713 -1.057 4.305 0.359 CBP IRC 45 IRC CCP CCP C 0 1 N N N 50.829 10.103 1.126 0.101 4.800 -0.511 CCP IRC 46 IRC CDP CDP C 0 1 N N N 49.617 8.342 -0.293 -0.745 4.586 1.830 CDP IRC 47 IRC CEP CEP C 0 1 N N N 48.815 8.998 2.005 -1.240 2.800 0.155 CEP IRC 48 IRC CI1 CI1 C 0 1 N N N 39.361 13.118 7.273 -12.571 -2.115 -0.708 CI1 IRC 49 IRC OI1 OI1 O 0 1 N N N 39.530 12.262 8.153 -12.181 -1.966 -1.847 OI1 IRC 50 IRC CI2 CI2 C 0 1 N N R 38.135 14.023 7.402 -13.795 -2.949 -0.434 CI2 IRC 51 IRC OI2 OI2 O 0 1 N N N 37.359 14.089 6.229 -14.247 -3.547 -1.651 OI2 IRC 52 IRC CI3 CI3 C 0 1 N N N 38.405 15.417 7.979 -14.901 -2.060 0.138 CI3 IRC 53 IRC CI4 CI4 C 0 1 N N N 39.124 16.433 7.099 -16.108 -2.923 0.511 CI4 IRC 54 IRC CI5 CI5 C 0 1 N N N 38.207 17.563 6.691 -15.721 -3.881 1.639 CI5 IRC 55 IRC CI6 CI6 C 0 1 N N N 40.283 16.964 7.904 -17.254 -2.023 0.977 CI6 IRC 56 IRC H1B H1B H 0 1 N N N 59.501 5.378 -1.797 6.079 -2.867 1.485 H1B IRC 57 IRC H2A H2A H 0 1 N N N 62.252 1.332 -3.356 5.641 -7.608 2.117 H2A IRC 58 IRC HO2A HO2A H 0 0 N N N 54.386 8.935 -2.559 6.407 4.162 0.642 HO2A IRC 59 IRC H2B H2B H 0 1 N N N 58.261 4.028 -4.162 8.085 -3.205 -0.754 H2B IRC 60 IRC HO2B HO2B H 0 0 N N N 59.698 5.380 -5.100 8.242 -4.374 1.348 HO2B IRC 61 IRC H2P H2P H 0 1 N N N 42.097 14.634 5.952 -9.822 -1.286 -0.872 H2P IRC 62 IRC H2PA H2PA H 0 0 N N N 42.060 13.421 7.361 -10.844 0.162 -1.032 H2PA IRC 63 IRC H3B H3B H 0 1 N N N 56.598 5.559 -4.693 8.666 -0.971 -0.747 H3B IRC 64 IRC H3P H3P H 0 1 N N N 44.024 13.906 5.905 -10.088 0.942 1.196 H3P IRC 65 IRC H3PA H3PA H 0 0 N N N 43.540 12.227 6.567 -9.065 -0.506 1.357 H3PA IRC 66 IRC HO4A HO4A H 0 0 N N N 54.869 9.975 1.002 3.299 6.098 0.393 HO4A IRC 67 IRC H4B H4B H 0 1 N N N 56.513 7.287 -2.389 6.748 -0.302 1.493 H4B IRC 68 IRC HN4P HN4P H 0 0 N N N 43.243 11.945 4.047 -8.389 0.799 -1.055 HN4P IRC 69 IRC H5B H5B H 0 1 N N N 54.616 6.023 -3.405 7.717 1.385 -0.140 H5B IRC 70 IRC H5BA H5BA H 0 0 N N N 55.247 4.523 -2.623 6.862 0.531 -1.447 H5BA IRC 71 IRC HN6A HN6A H 0 0 N N N 60.429 -1.679 -0.532 3.653 -8.711 -1.836 HN6A IRC 72 IRC HN6B HN6B H 0 0 N N N 59.788 -0.732 0.633 3.658 -7.311 -2.766 HN6B IRC 73 IRC H6P H6P H 0 1 N N N 46.869 11.718 3.277 -5.822 1.553 -0.736 H6P IRC 74 IRC H6PA H6PA H 0 0 N N N 45.262 10.800 2.954 -6.844 3.001 -0.896 H6PA IRC 75 IRC HO7A HO7A H 0 0 N N N 59.987 9.162 -4.886 9.991 1.743 1.014 HO7A IRC 76 IRC H7P H7P H 0 1 N N N 45.095 12.502 1.094 -6.088 3.782 1.333 H7P IRC 77 IRC H7PA H7PA H 0 0 N N N 46.888 12.585 1.313 -5.065 2.334 1.493 H7PA IRC 78 IRC H8A H8A H 0 1 N N N 56.898 3.431 -0.132 5.189 -2.762 -2.209 H8A IRC 79 IRC HO8A HO8A H 0 0 N N N 57.318 9.878 -3.316 12.288 0.062 2.378 HO8A IRC 80 IRC HN8P HN8P H 0 0 N N N 45.461 10.015 0.922 -4.389 3.638 -0.919 HN8P IRC 81 IRC HAP HAP H 0 1 N N N 48.792 11.369 0.954 -2.251 6.092 0.210 HAP IRC 82 IRC HOAP HOAP H 0 0 N N N 48.485 11.055 -1.818 -2.644 3.976 -1.738 HOAP IRC 83 IRC HCP HCP H 0 1 N N N 50.601 10.886 1.864 0.231 5.873 -0.366 HCP IRC 84 IRC HCPA HCPA H 0 0 N N N 51.269 10.505 0.201 -0.121 4.600 -1.559 HCPA IRC 85 IRC HDP HDP H 0 1 N N N 50.187 7.525 0.172 -1.531 4.162 2.455 HDP IRC 86 IRC HDPA HDPA H 0 0 N N N 48.626 7.972 -0.596 0.211 4.134 2.092 HDPA IRC 87 IRC HDPB HDPB H 0 0 N N N 50.158 8.709 -1.178 -0.694 5.663 1.991 HDPB IRC 88 IRC HEP HEP H 0 1 N N N 49.401 8.159 2.408 -1.462 2.600 -0.893 HEP IRC 89 IRC HEPA HEPA H 0 0 N N N 48.798 9.818 2.738 -0.325 2.281 0.438 HEPA IRC 90 IRC HEPB HEPB H 0 0 N N N 47.786 8.664 1.805 -2.065 2.447 0.775 HEPB IRC 91 IRC HI2 HI2 H 0 1 N N N 37.533 13.508 8.165 -13.549 -3.731 0.285 HI2 IRC 92 IRC HOI2 HOI2 H 0 0 N N N 36.616 14.664 6.372 -14.484 -2.909 -2.338 HOI2 IRC 93 IRC HI3 HI3 H 0 1 N N N 37.425 15.851 8.226 -14.532 -1.548 1.027 HI3 IRC 94 IRC HI3A HI3A H 0 0 N N N 39.032 15.273 8.872 -15.198 -1.323 -0.609 HI3A IRC 95 IRC HI4 HI4 H 0 1 N N N 39.466 15.954 6.170 -16.427 -3.496 -0.359 HI4 IRC 96 IRC HI5 HI5 H 0 1 N N N 38.759 18.274 6.059 -15.401 -3.308 2.509 HI5 IRC 97 IRC HI5A HI5A H 0 0 N N N 37.354 17.157 6.127 -16.581 -4.496 1.905 HI5A IRC 98 IRC HI5B HI5B H 0 0 N N N 37.840 18.080 7.590 -14.905 -4.522 1.307 HI5B IRC 99 IRC HI6 HI6 H 0 1 N N N 40.835 17.705 7.308 -17.587 -1.399 0.147 HI6 IRC 100 IRC HI6A HI6A H 0 0 N N N 39.905 17.440 8.821 -18.083 -2.640 1.323 HI6A IRC 101 IRC HI6B HI6B H 0 0 N N N 40.954 16.135 8.171 -16.908 -1.388 1.793 HI6B IRC 102 # # 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 IRC C2A N1A DOUB Y N 1 IRC N1A C6A SING Y N 2 IRC O1A P1A DOUB N N 3 IRC O2A P1A SING N N 4 IRC P1A O5B SING N N 5 IRC P1A O3A SING N N 6 IRC C2B C1B SING N N 7 IRC C1B O4B SING N N 8 IRC C1B N9A SING N N 9 IRC C1B H1B SING N N 10 IRC S1P C2P SING N N 11 IRC S1P CI1 SING N N 12 IRC C2A N3A SING Y N 13 IRC C2A H2A SING N N 14 IRC O2A HO2A SING N N 15 IRC O5A P2A DOUB N N 16 IRC O3A P2A SING N N 17 IRC P2A O4A SING N N 18 IRC P2A O6A SING N N 19 IRC O2B C2B SING N N 20 IRC C3B C2B SING N N 21 IRC C2B H2B SING N N 22 IRC O2B HO2B SING N N 23 IRC C3P C2P SING N N 24 IRC C2P H2P SING N N 25 IRC C2P H2PA SING N N 26 IRC N3A C4A DOUB Y N 27 IRC O3B C3B SING N N 28 IRC C3B C4B SING N N 29 IRC C3B H3B SING N N 30 IRC O3B P3B SING N N 31 IRC O9A P3B DOUB N N 32 IRC O7A P3B SING N N 33 IRC P3B O8A SING N N 34 IRC N4P C3P SING N N 35 IRC C3P H3P SING N N 36 IRC C3P H3PA SING N N 37 IRC C4A N9A SING Y N 38 IRC C4A C5A SING Y N 39 IRC O4A HO4A SING N N 40 IRC C4B C5B SING N N 41 IRC C4B O4B SING N N 42 IRC C4B H4B SING N N 43 IRC C5P N4P SING N N 44 IRC N4P HN4P SING N N 45 IRC C6A C5A DOUB Y N 46 IRC C5A N7A SING Y N 47 IRC C5B O5B SING N N 48 IRC C5B H5B SING N N 49 IRC C5B H5BA SING N N 50 IRC C6P C5P SING N N 51 IRC C5P O5P DOUB N N 52 IRC C6A N6A SING N N 53 IRC N6A HN6A SING N N 54 IRC N6A HN6B SING N N 55 IRC CCP O6A SING N N 56 IRC C7P C6P SING N N 57 IRC C6P H6P SING N N 58 IRC C6P H6PA SING N N 59 IRC C8A N7A DOUB Y N 60 IRC O7A HO7A SING N N 61 IRC N8P C7P SING N N 62 IRC C7P H7P SING N N 63 IRC C7P H7PA SING N N 64 IRC N9A C8A SING Y N 65 IRC C8A H8A SING N N 66 IRC O8A HO8A SING N N 67 IRC C9P N8P SING N N 68 IRC N8P HN8P SING N N 69 IRC O9P C9P DOUB N N 70 IRC C9P CAP SING N N 71 IRC OAP CAP SING N N 72 IRC CAP CBP SING N N 73 IRC CAP HAP SING N N 74 IRC OAP HOAP SING N N 75 IRC CDP CBP SING N N 76 IRC CBP CCP SING N N 77 IRC CBP CEP SING N N 78 IRC CCP HCP SING N N 79 IRC CCP HCPA SING N N 80 IRC CDP HDP SING N N 81 IRC CDP HDPA SING N N 82 IRC CDP HDPB SING N N 83 IRC CEP HEP SING N N 84 IRC CEP HEPA SING N N 85 IRC CEP HEPB SING N N 86 IRC CI1 CI2 SING N N 87 IRC CI1 OI1 DOUB N N 88 IRC OI2 CI2 SING N N 89 IRC CI2 CI3 SING N N 90 IRC CI2 HI2 SING N N 91 IRC OI2 HOI2 SING N N 92 IRC CI4 CI3 SING N N 93 IRC CI3 HI3 SING N N 94 IRC CI3 HI3A SING N N 95 IRC CI5 CI4 SING N N 96 IRC CI4 CI6 SING N N 97 IRC CI4 HI4 SING N N 98 IRC CI5 HI5 SING N N 99 IRC CI5 HI5A SING N N 100 IRC CI5 HI5B SING N N 101 IRC CI6 HI6 SING N N 102 IRC CI6 HI6A SING N N 103 IRC CI6 HI6B SING N N 104 # # 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 IRC SMILES ACDLabs 12.01 "O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C(O)CC(C)C" IRC SMILES_CANONICAL CACTVS 3.370 "CC(C)C[C@@H](O)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" IRC SMILES CACTVS 3.370 "CC(C)C[CH](O)C(=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" IRC SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "CC(C)C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O" IRC SMILES "OpenEye OEToolkits" 1.7.0 "CC(C)CC(C(=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)O" IRC InChI InChI 1.03 "InChI=1S/C27H46N7O18P3S/c1-14(2)9-15(35)26(40)56-8-7-29-17(36)5-6-30-24(39)21(38)27(3,4)11-49-55(46,47)52-54(44,45)48-10-16-20(51-53(41,42)43)19(37)25(50-16)34-13-33-18-22(28)31-12-32-23(18)34/h12-16,19-21,25,35,37-38H,5-11H2,1-4H3,(H,29,36)(H,30,39)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t15-,16-,19-,20-,21+,25-/m1/s1" IRC InChIKey InChI 1.03 CFNPCSNXESBNGR-LYALRYAQSA-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 IRC "SYSTEMATIC NAME" ACDLabs 12.01 "S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2R)-2-hydroxy-4-methylpentanethioate (non-preferred name)" IRC "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.0 "S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (2R)-2-hydroxy-4-methyl-pentanethioate" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site IRC "Create component" 2010-07-28 RCSB IRC "Modify aromatic_flag" 2011-06-04 RCSB IRC "Modify descriptor" 2011-06-04 RCSB IRC "Modify synonyms" 2020-06-05 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id IRC _pdbx_chem_comp_synonyms.name "(R)-2-hydroxy-4-methylpentanoyl-CoA" _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##