data_HSC # _chem_comp.id HSC _chem_comp.name "(S)-3-HYDROXYDECANOYL-COA" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C31 H50 N7 O18 P3 S" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge -4 _chem_comp.pdbx_initial_date 2011-07-29 _chem_comp.pdbx_modified_date 2012-08-03 _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 933.751 _chem_comp.one_letter_code ? _chem_comp.three_letter_code HSC _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 3ZWC _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site EBI # 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 HSC C1 C1 C 0 1 N N N -47.123 13.501 -19.860 12.285 0.385 0.977 C1 HSC 1 HSC O1 O1 O 0 1 N N N -47.655 14.493 -19.370 12.098 0.239 -0.213 O1 HSC 2 HSC C2 C2 C 0 1 N N N -47.083 12.041 -19.213 13.561 1.022 1.466 C2 HSC 3 HSC C3 C3 C 0 1 N N S -48.175 11.513 -18.228 14.439 1.389 0.269 C3 HSC 4 HSC O3 O3 O 0 1 N N N -49.184 10.723 -18.880 13.788 2.396 -0.509 O3 HSC 5 HSC C4 C4 C 0 1 N N N -47.538 10.498 -17.273 15.785 1.920 0.767 C4 HSC 6 HSC C5 C5 C 0 1 N N N -46.747 11.088 -16.102 16.709 2.170 -0.427 C5 HSC 7 HSC C6 C6 C 0 1 N N N -47.167 10.365 -14.808 18.054 2.701 0.072 C6 HSC 8 HSC C7 C7 C 0 1 N N N -46.017 9.575 -14.155 18.978 2.951 -1.122 C7 HSC 9 HSC C8 C8 C 0 1 N N N -46.434 8.118 -13.825 20.323 3.482 -0.623 C8 HSC 10 HSC C9 C9 C 0 1 N N N -45.582 7.449 -12.712 21.247 3.732 -1.817 C9 HSC 11 HSC C10 C10 C 0 1 N N N -45.885 5.941 -12.576 22.593 4.263 -1.318 C10 HSC 12 HSC N1A N1A N 0 1 Y N N -42.632 19.652 -19.684 -9.223 7.760 0.340 N1A HSC 13 HSC O1A O1A O -1 1 N N N -43.116 28.056 -26.435 -6.470 -1.662 -3.320 O1A HSC 14 HSC P1A P1A P 0 1 N N N -43.102 26.570 -26.381 -6.230 -2.153 -1.875 P1A HSC 15 HSC C1B C1B C 0 1 N N R -41.356 23.789 -22.519 -8.677 2.596 0.449 C1B HSC 16 HSC S1P S1P S 0 1 N N N -46.279 13.793 -21.363 11.098 -0.126 2.099 S1P HSC 17 HSC C2A C2A C 0 1 Y N N -41.636 20.522 -19.493 -9.547 6.916 1.303 C2A HSC 18 HSC O2A O2A O 0 1 N N N -41.898 25.851 -26.829 -6.942 -3.508 -1.666 O2A HSC 19 HSC P2A P2A P 0 1 N N N -45.821 26.797 -27.612 -3.563 -3.429 -2.081 P2A HSC 20 HSC C2B C2B C 0 1 N N R -40.838 23.991 -23.933 -10.114 2.049 0.253 C2B HSC 21 HSC O2B O2B O 0 1 N N N -39.727 23.119 -24.134 -11.017 2.646 1.186 O2B HSC 22 HSC C2P C2P C 0 1 N N N -46.293 15.624 -21.426 9.849 -0.774 0.962 C2P HSC 23 HSC N3A N3A N 0 1 Y N N -41.427 21.545 -20.324 -9.353 5.618 1.199 N3A HSC 24 HSC O3A O3A O 0 1 N N N -44.407 25.971 -27.202 -4.650 -2.333 -1.625 O3A HSC 25 HSC C3B C3B C 0 1 N N S -40.438 25.473 -23.897 -9.931 0.541 0.549 C3B HSC 26 HSC O3B O3B O 0 1 N N N -39.182 25.660 -23.217 -10.306 0.246 1.896 O3B HSC 27 HSC P3B P3B P 0 1 N N N -37.995 26.685 -23.747 -11.459 -0.812 2.273 P3B HSC 28 HSC C3P C3P C 0 1 N N N -47.094 16.157 -22.617 8.656 -1.303 1.762 C3P HSC 29 HSC C4A C4A C 0 1 Y N N -42.239 21.729 -21.395 -8.814 5.099 0.101 C4A HSC 30 HSC O4A O4A O 0 1 N N N -45.624 28.235 -27.340 -4.189 -4.839 -2.001 O4A HSC 31 HSC C4B C4B C 0 1 N N R -41.544 26.092 -23.023 -8.423 0.296 0.344 C4B HSC 32 HSC O4B O4B O 0 1 N N N -42.122 25.000 -22.231 -7.841 1.542 -0.076 O4B HSC 33 HSC N4P N4P N 0 1 N N N -46.556 17.465 -23.049 7.645 -1.828 0.841 N4P HSC 34 HSC C5A C5A C 0 1 Y N N -43.292 20.838 -21.635 -8.452 5.956 -0.953 C5A HSC 35 HSC O5A O5A O -1 1 N N N -46.319 26.358 -28.946 -3.121 -3.143 -3.534 O5A HSC 36 HSC C5B C5B C 0 1 N N N -42.672 26.874 -23.772 -8.211 -0.768 -0.735 C5B HSC 37 HSC O5B O5B O 0 1 N N N -43.317 26.127 -24.832 -6.818 -1.072 -0.836 O5B HSC 38 HSC C5P C5P C 0 1 N N N -45.963 17.662 -24.231 6.500 -2.349 1.324 C5P HSC 39 HSC O5P O5P O 0 1 N N N -45.794 16.789 -25.092 6.307 -2.384 2.521 O5P HSC 40 HSC C6A C6A C 0 1 Y N N -43.478 19.777 -20.737 -8.679 7.334 -0.795 C6A HSC 41 HSC N6A N6A N 0 1 N N N -44.470 18.907 -20.936 -8.344 8.226 -1.798 N6A HSC 42 HSC O6A O6A O 0 1 N N N -46.844 26.186 -26.511 -2.283 -3.355 -1.107 O6A HSC 43 HSC C6P C6P C 0 1 N N N -45.519 19.107 -24.459 5.459 -2.889 0.377 C6P HSC 44 HSC N7A N7A N 0 1 Y N N -43.921 21.231 -22.749 -7.933 5.182 -1.936 N7A HSC 45 HSC O7A O7A O -1 1 N N N -38.676 28.143 -23.924 -11.074 -2.225 1.716 O7A HSC 46 HSC C7P C7P C 0 1 N N N -45.335 19.401 -25.948 4.267 -3.418 1.177 C7P HSC 47 HSC C8A C8A C 0 1 Y N N -43.306 22.323 -23.194 -7.952 3.936 -1.563 C8A HSC 48 HSC O8A O8A O 0 1 N N N -36.839 26.708 -22.832 -11.610 -0.888 3.830 O8A HSC 49 HSC N8P N8P N 0 1 N N N -45.374 20.850 -26.197 3.256 -3.943 0.257 N8P HSC 50 HSC N9A N9A N 0 1 Y N N -42.280 22.630 -22.379 -8.487 3.832 -0.313 N9A HSC 51 HSC O9A O9A O -1 1 N N N -37.619 26.163 -25.245 -12.817 -0.354 1.639 O9A HSC 52 HSC C9P C9P C 0 1 N N N -46.221 21.425 -27.056 2.110 -4.465 0.740 C9P HSC 53 HSC O9P O9P O 0 1 N N N -47.055 20.832 -27.739 1.956 -4.585 1.937 O9P HSC 54 HSC CAP CAP C 0 1 N N R -46.086 22.952 -27.178 1.021 -4.898 -0.207 CAP HSC 55 HSC OAP OAP O 0 1 N N N -44.672 23.299 -27.183 1.531 -4.917 -1.542 OAP HSC 56 HSC CBP CBP C 0 1 N N N -46.924 23.710 -26.094 -0.149 -3.918 -0.122 CBP HSC 57 HSC CCP CCP C 0 1 N N N -47.560 24.953 -26.746 -1.190 -4.271 -1.187 CCP HSC 58 HSC CDP CDP C 0 1 N N N -48.110 22.906 -25.597 -0.789 -4.006 1.265 CDP HSC 59 HSC CEP CEP C 0 1 N N N -46.063 24.054 -24.870 0.359 -2.494 -0.358 CEP HSC 60 HSC H2 H2 H 0 1 N N N -47.106 11.348 -20.067 13.323 1.923 2.032 H2 HSC 61 HSC H2A H2A H 0 1 N N N -46.142 12.004 -18.645 14.094 0.320 2.107 H2A HSC 62 HSC H3 H3 H 0 1 N N N -48.599 12.411 -17.755 14.604 0.504 -0.347 H3 HSC 63 HSC HO3 HO3 H 0 1 N N N -49.820 10.429 -18.239 13.611 3.213 -0.025 HO3 HSC 64 HSC H4 H4 H 0 1 N N N -48.351 9.891 -16.848 15.629 2.854 1.307 H4 HSC 65 HSC H4A H4A H 0 1 N N N -46.843 9.883 -17.863 16.241 1.187 1.433 H4A HSC 66 HSC H5 H5 H 0 1 N N N -45.670 10.947 -16.273 16.865 1.236 -0.967 H5 HSC 67 HSC H5A H5A H 0 1 N N N -46.962 12.163 -16.013 16.253 2.903 -1.092 H5A HSC 68 HSC H6 H6 H 0 1 N N N -47.518 11.120 -14.089 17.898 3.635 0.612 H6 HSC 69 HSC H6A H6A H 0 1 N N N -47.974 9.659 -15.054 18.510 1.968 0.737 H6A HSC 70 HSC H7 H7 H 0 1 N N N -45.166 9.549 -14.852 19.134 2.017 -1.662 H7 HSC 71 HSC H7A H7A H 0 1 N N N -45.728 10.079 -13.221 18.522 3.684 -1.787 H7A HSC 72 HSC H8 H8 H 0 1 N N N -47.481 8.134 -13.487 20.167 4.416 -0.083 H8 HSC 73 HSC H8A H8A H 0 1 N N N -46.325 7.519 -14.741 20.779 2.749 0.042 H8A HSC 74 HSC H9 H9 H 0 1 N N N -44.518 7.572 -12.963 21.403 2.798 -2.357 H9 HSC 75 HSC H9A H9A H 0 1 N N N -45.808 7.940 -11.754 20.791 4.465 -2.482 H9A HSC 76 HSC H10 H10 H 0 1 N N N -45.261 5.511 -11.779 23.049 3.530 -0.653 H10 HSC 77 HSC H10A H10A H 0 0 N N N -46.947 5.802 -12.325 23.251 4.441 -2.169 H10A HSC 78 HSC H10B H10B H 0 0 N N N -45.664 5.435 -13.528 22.437 5.197 -0.778 H10B HSC 79 HSC H1B H1B H 0 1 N N N -40.509 23.596 -21.845 -8.469 2.759 1.506 H1B HSC 80 HSC H2AA H2AA H 0 0 N N N -40.982 20.394 -18.643 -9.987 7.305 2.209 H2AA HSC 81 HSC H2B H2B H 0 1 N N N -41.540 23.769 -24.750 -10.454 2.207 -0.771 H2B HSC 82 HSC HO2B HO2B H 0 0 N N N -39.390 23.233 -25.015 -11.096 3.606 1.098 HO2B HSC 83 HSC H2P H2P H 0 1 N N N -46.749 16.003 -20.500 9.515 0.022 0.296 H2P HSC 84 HSC H2PA H2PA H 0 0 N N N -45.256 15.979 -21.515 10.279 -1.584 0.373 H2PA HSC 85 HSC H3B H3B H 0 1 N N N -40.332 25.902 -24.904 -10.515 -0.059 -0.149 H3B HSC 86 HSC H3P H3P H 0 1 N N N -47.023 15.443 -23.450 8.990 -2.099 2.428 H3P HSC 87 HSC H3PA H3PA H 0 0 N N N -48.147 16.278 -22.321 8.226 -0.493 2.351 H3PA HSC 88 HSC H4B H4B H 0 1 N N N -41.065 26.871 -22.412 -7.969 -0.027 1.281 H4B HSC 89 HSC HN4P HN4P H 0 0 N N N -46.640 18.242 -22.425 7.799 -1.800 -0.116 HN4P HSC 90 HSC H5B H5B H 0 1 N N N -43.441 27.145 -23.034 -8.761 -1.670 -0.469 H5B HSC 91 HSC H5BA H5BA H 0 0 N N N -42.220 27.772 -24.219 -8.571 -0.391 -1.692 H5BA HSC 92 HSC HN6A HN6A H 0 0 N N N -44.456 18.214 -20.215 -8.506 9.175 -1.677 HN6A HSC 93 HSC HN6B HN6B H 0 0 N N N -45.345 19.390 -20.917 -7.947 7.903 -2.622 HN6B HSC 94 HSC H6P H6P H 0 1 N N N -46.286 19.783 -24.055 5.126 -2.093 -0.288 H6P HSC 95 HSC H6PA H6PA H 0 0 N N N -44.562 19.271 -23.943 5.890 -3.699 -0.212 H6PA HSC 96 HSC H7P H7P H 0 1 N N N -44.362 19.005 -26.276 4.601 -4.214 1.843 H7P HSC 97 HSC H7PA H7PA H 0 0 N N N -46.145 18.916 -26.513 3.837 -2.608 1.766 H7PA HSC 98 HSC H8AA H8AA H 0 0 N N N -43.587 22.879 -24.076 -7.598 3.106 -2.156 H8AA HSC 99 HSC HN8P HN8P H 0 0 N N N -44.734 21.435 -25.698 3.410 -3.916 -0.701 HN8P HSC 100 HSC HAP HAP H 0 1 N N N -46.518 23.288 -28.132 0.680 -5.897 0.065 HAP HSC 101 HSC HOAP HOAP H 0 0 N N N -44.577 24.241 -27.258 1.854 -4.060 -1.852 HOAP HSC 102 HSC HCP HCP H 0 1 N N N -48.573 25.068 -26.334 -1.552 -5.285 -1.018 HCP HSC 103 HSC HCPA HCPA H 0 0 N N N -47.592 24.784 -27.832 -0.734 -4.207 -2.175 HCPA HSC 104 HSC HDP HDP H 0 1 N N N -48.657 23.488 -24.841 -0.071 -3.680 2.018 HDP HSC 105 HSC HDPA HDPA H 0 0 N N N -48.779 22.680 -26.440 -1.670 -3.366 1.301 HDPA HSC 106 HSC HDPB HDPB H 0 0 N N N -47.754 21.966 -25.149 -1.081 -5.037 1.465 HDPB HSC 107 HSC HEP HEP H 0 1 N N N -46.676 24.585 -24.127 0.815 -2.431 -1.347 HEP HSC 108 HSC HEPA HEPA H 0 0 N N N -45.670 23.127 -24.426 -0.475 -1.795 -0.297 HEPA HSC 109 HSC HEPB HEPB H 0 0 N N N -45.226 24.696 -25.180 1.100 -2.242 0.400 HEPB HSC 110 # 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 HSC C1 O1 DOUB N N 1 HSC C1 C2 SING N N 2 HSC C1 S1P SING N N 3 HSC C2 C3 SING N N 4 HSC C3 O3 SING N N 5 HSC C3 C4 SING N N 6 HSC C4 C5 SING N N 7 HSC C5 C6 SING N N 8 HSC C6 C7 SING N N 9 HSC C7 C8 SING N N 10 HSC C8 C9 SING N N 11 HSC C9 C10 SING N N 12 HSC N1A C2A DOUB Y N 13 HSC N1A C6A SING Y N 14 HSC O1A P1A SING N N 15 HSC P1A O2A DOUB N N 16 HSC P1A O3A SING N N 17 HSC P1A O5B SING N N 18 HSC C1B C2B SING N N 19 HSC C1B O4B SING N N 20 HSC C1B N9A SING N N 21 HSC S1P C2P SING N N 22 HSC C2A N3A SING Y N 23 HSC P2A O3A SING N N 24 HSC P2A O4A DOUB N N 25 HSC P2A O5A SING N N 26 HSC P2A O6A SING N N 27 HSC C2B O2B SING N N 28 HSC C2B C3B SING N N 29 HSC C2P C3P SING N N 30 HSC N3A C4A DOUB Y N 31 HSC C3B O3B SING N N 32 HSC C3B C4B SING N N 33 HSC O3B P3B SING N N 34 HSC P3B O7A SING N N 35 HSC P3B O8A DOUB N N 36 HSC P3B O9A SING N N 37 HSC C3P N4P SING N N 38 HSC C4A C5A SING Y N 39 HSC C4A N9A SING Y N 40 HSC C4B O4B SING N N 41 HSC C4B C5B SING N N 42 HSC N4P C5P SING N N 43 HSC C5A C6A DOUB Y N 44 HSC C5A N7A SING Y N 45 HSC C5B O5B SING N N 46 HSC C5P O5P DOUB N N 47 HSC C5P C6P SING N N 48 HSC C6A N6A SING N N 49 HSC O6A CCP SING N N 50 HSC C6P C7P SING N N 51 HSC N7A C8A DOUB Y N 52 HSC C7P N8P SING N N 53 HSC C8A N9A SING Y N 54 HSC N8P C9P SING N N 55 HSC C9P O9P DOUB N N 56 HSC C9P CAP SING N N 57 HSC CAP OAP SING N N 58 HSC CAP CBP SING N N 59 HSC CBP CCP SING N N 60 HSC CBP CDP SING N N 61 HSC CBP CEP SING N N 62 HSC C2 H2 SING N N 63 HSC C2 H2A SING N N 64 HSC C3 H3 SING N N 65 HSC O3 HO3 SING N N 66 HSC C4 H4 SING N N 67 HSC C4 H4A SING N N 68 HSC C5 H5 SING N N 69 HSC C5 H5A SING N N 70 HSC C6 H6 SING N N 71 HSC C6 H6A SING N N 72 HSC C7 H7 SING N N 73 HSC C7 H7A SING N N 74 HSC C8 H8 SING N N 75 HSC C8 H8A SING N N 76 HSC C9 H9 SING N N 77 HSC C9 H9A SING N N 78 HSC C10 H10 SING N N 79 HSC C10 H10A SING N N 80 HSC C10 H10B SING N N 81 HSC C1B H1B SING N N 82 HSC C2A H2AA SING N N 83 HSC C2B H2B SING N N 84 HSC O2B HO2B SING N N 85 HSC C2P H2P SING N N 86 HSC C2P H2PA SING N N 87 HSC C3B H3B SING N N 88 HSC C3P H3P SING N N 89 HSC C3P H3PA SING N N 90 HSC C4B H4B SING N N 91 HSC N4P HN4P SING N N 92 HSC C5B H5B SING N N 93 HSC C5B H5BA SING N N 94 HSC N6A HN6A SING N N 95 HSC N6A HN6B SING N N 96 HSC C6P H6P SING N N 97 HSC C6P H6PA SING N N 98 HSC C7P H7P SING N N 99 HSC C7P H7PA SING N N 100 HSC C8A H8AA SING N N 101 HSC N8P HN8P SING N N 102 HSC CAP HAP SING N N 103 HSC OAP HOAP SING N N 104 HSC CCP HCP SING N N 105 HSC CCP HCPA SING N N 106 HSC CDP HDP SING N N 107 HSC CDP HDPA SING N N 108 HSC CDP HDPB SING N N 109 HSC CEP HEP SING N N 110 HSC CEP HEPA SING N N 111 HSC CEP HEPB SING N N 112 # 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 HSC InChI InChI 1.03 ;InChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/p-4/t19-,20+,24+,25+,26-,30+/m0/s1 ; HSC InChIKey InChI 1.03 HIVSMYZAMUNFKZ-PNPVFPMQSA-J HSC SMILES_CANONICAL CACTVS 3.370 "CCCCCCC[C@H](O)CC(=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" HSC SMILES CACTVS 3.370 "CCCCCCC[CH](O)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" HSC SMILES_CANONICAL "OpenEye OEToolkits" 1.7.2 "CCCCCCC[C@@H](CC(=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)O" HSC SMILES "OpenEye OEToolkits" 1.7.2 "CCCCCCCC(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)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 HSC "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.2 ;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-2,2-dimethyl-3-oxidanyl-4-[[3-[2-[(3S)-3-oxidanyldecanoyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-4-oxidanylidene-butoxy]-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl] phosphate ; # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site HSC "Create component" 2011-07-29 EBI #