data_SHN # _chem_comp.id SHN _chem_comp.name "3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C42 H46 N4 O16" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2019-06-20 _chem_comp.pdbx_modified_date 2020-02-21 _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 862.832 _chem_comp.one_letter_code ? _chem_comp.three_letter_code SHN _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 6P5X _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 SHN C2A C1 C 0 1 N N S 21.505 -6.794 50.157 -3.158 3.377 0.164 C2A SHN 1 SHN C2B C2 C 0 1 N N S 23.579 -6.982 44.410 -3.353 -2.766 -0.826 C2B SHN 2 SHN CMA C3 C 0 1 N N N 21.309 -7.596 51.441 -3.528 4.102 1.460 CMA SHN 3 SHN CMB C4 C 0 1 N N N 24.106 -8.421 44.259 -4.354 -3.167 0.260 CMB SHN 4 SHN NB N1 N 0 1 Y N N 24.508 -5.720 46.363 -1.414 -1.536 -0.377 NB SHN 5 SHN ND N2 N 0 1 Y N N 25.249 -4.297 50.043 1.041 1.663 0.491 ND SHN 6 SHN C1A C5 C 0 1 Y N N 22.882 -6.161 50.087 -1.777 2.749 0.274 C1A SHN 7 SHN C1B C6 C 0 1 Y N N 23.492 -6.578 45.887 -2.751 -1.403 -0.517 C1B SHN 8 SHN C1C C7 C 0 1 Y N N 27.258 -4.599 46.332 1.462 -2.451 -0.201 C1C SHN 9 SHN C1D C8 C 0 1 Y N N 26.275 -3.519 50.366 2.407 1.609 0.691 C1D SHN 10 SHN C2C C9 C 0 1 Y N N 28.646 -4.494 46.523 2.788 -2.955 -0.169 C2C SHN 11 SHN C2D C10 C 0 1 Y N N 26.170 -3.250 51.723 2.846 2.906 1.004 C2D SHN 12 SHN C3A C11 C 0 1 N N S 21.459 -7.585 48.980 -4.073 2.162 -0.060 C3A SHN 13 SHN C3B C12 C 0 1 N N S 24.522 -6.023 43.939 -2.151 -3.718 -0.827 C3B SHN 14 SHN C3C C13 C 0 1 Y N N 28.848 -3.890 47.765 3.602 -1.913 0.132 C3C SHN 15 SHN C3D C14 C 0 1 Y N N 25.040 -3.915 52.190 1.751 3.734 0.986 C3D SHN 16 SHN C4A C15 C 0 1 Y N N 22.524 -6.918 48.113 -3.091 1.000 -0.150 C4A SHN 17 SHN C4B C16 C 0 1 Y N N 25.307 -5.689 45.209 -0.963 -2.815 -0.540 C4B SHN 18 SHN C4C C17 C 0 1 Y N N 27.571 -3.636 48.282 2.771 -0.774 0.282 C4C SHN 19 SHN C4D C18 C 0 1 Y N N 24.479 -4.565 51.095 0.627 2.957 0.664 C4D SHN 20 SHN CAA C19 C 0 1 N N N 21.777 -9.107 49.252 -5.024 1.975 1.123 CAA SHN 21 SHN CAB C20 C 0 1 N N N 25.448 -6.576 42.781 -2.300 -4.773 0.271 CAB SHN 22 SHN CAC C21 C 0 1 N N N 30.209 -3.543 48.404 5.101 -1.957 0.278 CAC SHN 23 SHN CAD C22 C 0 1 N N N 27.126 -2.400 52.549 4.265 3.315 1.305 CAD SHN 24 SHN CBA C23 C 0 1 N N N 23.191 -9.561 48.885 -6.026 0.864 0.803 CBA SHN 25 SHN CBB C24 C 0 1 N N N 24.718 -6.489 41.438 -1.186 -5.813 0.135 CBB SHN 26 SHN CBC C25 C 0 1 N N N 31.033 -4.730 48.908 5.755 -1.558 -1.046 CBC SHN 27 SHN CBD C26 C 0 1 N N N 26.919 -0.909 52.345 4.966 3.717 0.006 CBD SHN 28 SHN CCA C27 C 0 1 N N N 23.308 -11.094 48.873 -7.048 0.775 1.906 CCA SHN 29 SHN CCB C28 C 0 1 N N N 25.582 -6.858 40.239 -1.411 -6.922 1.130 CCB SHN 30 SHN CCC C29 C 0 1 N N N 30.413 -5.251 50.194 7.254 -1.602 -0.900 CCC SHN 31 SHN CCD C30 C 0 1 N N N 27.880 -0.143 53.243 6.385 4.126 0.308 CCD SHN 32 SHN CDA C31 C 0 1 N N N 20.452 -5.644 50.070 -3.226 4.334 -1.028 CDA SHN 33 SHN CDB C32 C 0 1 N N N 22.168 -6.882 43.707 -4.030 -2.754 -2.198 CDB SHN 34 SHN CDC C33 C 0 1 N N N 29.761 -4.963 45.587 3.211 -4.379 -0.422 CDC SHN 35 SHN CDD C34 C 0 1 N N N 24.523 -3.906 53.630 1.755 5.215 1.263 CDD SHN 36 SHN CEA C35 C 0 1 N N N 19.114 -6.136 49.527 -4.651 4.773 -1.239 CEA SHN 37 SHN CEB C36 C 0 1 N N N 21.678 -5.450 43.467 -3.031 -2.337 -3.247 CEB SHN 38 SHN CEC C37 C 0 1 N N N 29.891 -4.129 44.321 3.092 -5.173 0.853 CEC SHN 39 SHN CED C38 C 0 1 N N N 24.819 -5.196 54.398 1.974 5.967 -0.024 CED SHN 40 SHN CHA C39 C 0 1 Y N N 23.318 -5.345 51.131 -0.667 3.481 0.554 CHA SHN 41 SHN CHB C40 C 0 1 Y N N 22.459 -7.005 46.718 -3.518 -0.297 -0.418 CHB SHN 42 SHN CHC C41 C 0 1 Y N N 26.607 -5.146 45.209 0.291 -3.279 -0.479 CHC SHN 43 SHN CHD C42 C 0 1 Y N N 27.280 -3.037 49.516 3.241 0.503 0.606 CHD SHN 44 SHN NA N3 N 0 1 Y N N 23.323 -5.951 48.769 -1.881 1.447 0.058 NA SHN 45 SHN NC N4 N 0 1 Y N N 26.671 -4.063 47.403 1.502 -1.153 0.067 NC SHN 46 SHN O1A O1 O 0 1 N N N 24.271 -11.663 49.418 -8.032 -0.136 1.838 O1A SHN 47 SHN O1B O2 O 0 1 N N N 25.240 -7.801 39.488 -2.364 -6.885 1.871 O1B SHN 48 SHN O1C O3 O 0 1 N N N 29.389 -2.974 44.272 3.418 -6.475 0.866 O1C SHN 49 SHN O1D O4 O 0 1 N N N 29.106 -0.430 53.213 6.793 4.099 1.445 O1D SHN 50 SHN O2A O5 O 0 1 N N N 22.437 -11.817 48.331 -6.982 1.523 2.852 O2A SHN 51 SHN O2B O6 O 0 1 N N N 26.633 -6.204 40.008 -0.551 -7.952 1.192 O2B SHN 52 SHN O2C O7 O 0 1 N N N 30.514 -4.601 43.335 2.702 -4.638 1.864 O2C SHN 53 SHN O2D O8 O 0 1 N N N 27.442 0.750 54.017 7.196 4.520 -0.687 O2D SHN 54 SHN O3A O9 O 0 1 N N N 18.214 -6.437 50.349 -4.966 5.547 -2.290 O3A SHN 55 SHN O3B O10 O 0 1 N N N 21.543 -4.670 44.447 -3.417 -2.203 -4.525 O3B SHN 56 SHN O3C O11 O 0 1 N N N 30.084 -4.445 51.124 8.040 -1.289 -1.942 O3C SHN 57 SHN O3D O12 O 0 1 N N N 24.045 -6.188 54.321 2.113 5.362 -1.061 O3D SHN 58 SHN O4A O13 O 0 1 N N N 18.905 -6.219 48.288 -5.511 4.428 -0.464 O4A SHN 59 SHN O4B O14 O 0 1 N N N 21.390 -5.048 42.301 -1.883 -2.124 -2.937 O4B SHN 60 SHN O4C O15 O 0 1 N N N 30.187 -6.469 50.308 7.749 -1.920 0.155 O4C SHN 61 SHN O4D O16 O 0 1 N N N 25.846 -5.275 55.117 2.015 7.308 -0.019 O4D SHN 62 SHN H1 H1 H 0 1 N N N 21.357 -6.920 52.307 -2.814 4.904 1.644 H1 SHN 63 SHN H2 H2 H 0 1 N N N 20.328 -8.092 51.417 -4.530 4.521 1.368 H2 SHN 64 SHN H3 H3 H 0 1 N N N 22.101 -8.354 51.524 -3.504 3.396 2.290 H3 SHN 65 SHN H4 H4 H 0 1 N N N 25.089 -8.505 44.745 -5.168 -2.443 0.290 H4 SHN 66 SHN H5 H5 H 0 1 N N N 23.402 -9.121 44.733 -4.756 -4.155 0.036 H5 SHN 67 SHN H6 H6 H 0 1 N N N 24.203 -8.666 43.191 -3.852 -3.190 1.227 H6 SHN 68 SHN H7 H7 H 0 1 N N N 21.065 -9.711 48.670 -4.452 1.704 2.010 H7 SHN 69 SHN H8 H8 H 0 1 N N N 21.628 -9.298 50.325 -5.561 2.906 1.308 H8 SHN 70 SHN H9 H9 H 0 1 N N N 25.704 -7.625 42.989 -2.232 -4.293 1.247 H9 SHN 71 SHN H10 H10 H 0 1 N N N 26.369 -5.977 42.734 -3.269 -5.263 0.174 H10 SHN 72 SHN H11 H11 H 0 1 N N N 30.809 -3.012 47.651 5.411 -1.263 1.059 H11 SHN 73 SHN H12 H12 H 0 1 N N N 30.020 -2.877 49.259 5.411 -2.967 0.547 H12 SHN 74 SHN H13 H13 H 0 1 N N N 26.973 -2.633 53.613 4.260 4.161 1.992 H13 SHN 75 SHN H14 H14 H 0 1 N N N 28.157 -2.653 52.263 4.795 2.479 1.761 H14 SHN 76 SHN H15 H15 H 0 1 N N N 23.899 -9.155 49.622 -6.527 1.087 -0.140 H15 SHN 77 SHN H16 H16 H 0 1 N N N 23.441 -9.176 47.885 -5.499 -0.086 0.717 H16 SHN 78 SHN H17 H17 H 0 1 N N N 24.362 -5.457 41.304 -1.194 -6.223 -0.875 H17 SHN 79 SHN H18 H18 H 0 1 N N N 23.857 -7.173 41.467 -0.223 -5.340 0.328 H18 SHN 80 SHN H19 H19 H 0 1 N N N 31.034 -5.527 48.150 5.446 -2.253 -1.828 H19 SHN 81 SHN H20 H20 H 0 1 N N N 32.066 -4.406 49.101 5.446 -0.548 -1.315 H20 SHN 82 SHN H21 H21 H 0 1 N N N 27.113 -0.651 51.293 4.971 2.871 -0.681 H21 SHN 83 SHN H22 H22 H 0 1 N N N 25.883 -0.643 52.603 4.436 4.552 -0.450 H22 SHN 84 SHN H23 H23 H 0 1 N N N 20.838 -4.858 49.404 -2.602 5.206 -0.829 H23 SHN 85 SHN H24 H24 H 0 1 N N N 20.296 -5.228 51.076 -2.865 3.826 -1.922 H24 SHN 86 SHN H25 H25 H 0 1 N N N 21.431 -7.396 44.342 -4.403 -3.752 -2.428 H25 SHN 87 SHN H26 H26 H 0 1 N N N 22.232 -7.391 42.734 -4.861 -2.049 -2.188 H26 SHN 88 SHN H27 H27 H 0 1 N N N 29.556 -6.004 45.297 2.570 -4.819 -1.185 H27 SHN 89 SHN H28 H28 H 0 1 N N N 30.715 -4.916 46.133 4.246 -4.395 -0.764 H28 SHN 90 SHN H29 H29 H 0 1 N N N 24.996 -3.068 54.163 0.798 5.506 1.696 H29 SHN 91 SHN H30 H30 H 0 1 N N N 23.433 -3.758 53.607 2.557 5.451 1.963 H30 SHN 92 SHN H31 H31 H 0 1 N N N 22.718 -5.313 52.029 -0.796 4.557 0.703 H31 SHN 93 SHN H32 H32 H 0 1 N N N 21.570 -7.421 46.267 -4.599 -0.437 -0.567 H32 SHN 94 SHN H33 H33 H 0 1 N N N 27.147 -5.149 44.274 0.446 -4.347 -0.649 H33 SHN 95 SHN H34 H34 H 0 1 N N N 27.851 -2.173 49.823 4.304 0.635 0.802 H34 SHN 96 SHN H37 H37 H 0 1 N N N 24.177 -12.604 49.325 -8.664 -0.155 2.570 H37 SHN 97 SHN H38 H38 H 0 1 N N N 29.567 -2.587 43.423 3.324 -6.943 1.708 H38 SHN 98 SHN H39 H39 H 0 1 N N N 27.055 -6.547 39.229 -0.737 -8.639 1.846 H39 SHN 99 SHN H40 H40 H 0 1 N N N 28.162 1.117 54.517 8.097 4.773 -0.444 H40 SHN 100 SHN H41 H41 H 0 1 N N N 17.434 -6.709 49.880 -5.894 5.804 -2.384 H41 SHN 101 SHN H42 H42 H 0 1 N N N 21.220 -3.830 44.142 -2.741 -1.933 -5.162 H42 SHN 102 SHN H43 H43 H 0 1 N N N 29.678 -4.929 51.834 8.996 -1.332 -1.800 H43 SHN 103 SHN H44 H44 H 0 1 N N N 25.884 -6.133 55.522 2.158 7.746 -0.869 H44 SHN 104 SHN H45 H45 H 0 1 N N N 24.623 -5.272 47.250 -0.826 -0.791 -0.179 H45 SHN 105 SHN H46 H46 H 0 1 N N N 25.075 -4.640 49.120 0.471 0.911 0.265 H46 SHN 106 SHN H47 H47 H 0 1 N N N 20.479 -7.507 48.487 -4.632 2.267 -0.990 H47 SHN 107 SHN H48 H48 H 0 1 N N N 24.011 -5.118 43.579 -2.042 -4.195 -1.801 H48 SHN 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 SHN O1B CCB DOUB N N 1 SHN O2B CCB SING N N 2 SHN CCB CBB SING N N 3 SHN CBB CAB SING N N 4 SHN O4B CEB DOUB N N 5 SHN CAB C3B SING N N 6 SHN O2C CEC DOUB N N 7 SHN CEB CDB SING N N 8 SHN CEB O3B SING N N 9 SHN CDB C2B SING N N 10 SHN C3B C2B SING N N 11 SHN C3B C4B SING N N 12 SHN CMB C2B SING N N 13 SHN O1C CEC SING N N 14 SHN CEC CDC SING N N 15 SHN C2B C1B SING N N 16 SHN C4B CHC DOUB Y N 17 SHN C4B NB SING Y N 18 SHN CHC C1C SING Y N 19 SHN CDC C2C SING N N 20 SHN C1B NB SING Y N 21 SHN C1B CHB DOUB Y N 22 SHN C1C C2C SING Y N 23 SHN C1C NC DOUB Y N 24 SHN C2C C3C DOUB Y N 25 SHN CHB C4A SING Y N 26 SHN NC C4C SING Y N 27 SHN C3C C4C SING Y N 28 SHN C3C CAC SING N N 29 SHN C4A NA DOUB Y N 30 SHN C4A C3A SING N N 31 SHN C4C CHD DOUB Y N 32 SHN O4A CEA DOUB N N 33 SHN O2A CCA DOUB N N 34 SHN CAC CBC SING N N 35 SHN NA C1A SING Y N 36 SHN CCA CBA SING N N 37 SHN CCA O1A SING N N 38 SHN CBA CAA SING N N 39 SHN CBC CCC SING N N 40 SHN C3A CAA SING N N 41 SHN C3A C2A SING N N 42 SHN CHD C1D SING Y N 43 SHN CEA CDA SING N N 44 SHN CEA O3A SING N N 45 SHN ND C1D SING Y N 46 SHN ND C4D SING Y N 47 SHN CDA C2A SING N N 48 SHN C1A C2A SING N N 49 SHN C1A CHA DOUB Y N 50 SHN C2A CMA SING N N 51 SHN CCC O4C DOUB N N 52 SHN CCC O3C SING N N 53 SHN C1D C2D DOUB Y N 54 SHN C4D CHA SING Y N 55 SHN C4D C3D DOUB Y N 56 SHN C2D C3D SING Y N 57 SHN C2D CAD SING N N 58 SHN C3D CDD SING N N 59 SHN CBD CAD SING N N 60 SHN CBD CCD SING N N 61 SHN O1D CCD DOUB N N 62 SHN CCD O2D SING N N 63 SHN CDD CED SING N N 64 SHN O3D CED DOUB N N 65 SHN CED O4D SING N N 66 SHN CMA H1 SING N N 67 SHN CMA H2 SING N N 68 SHN CMA H3 SING N N 69 SHN CMB H4 SING N N 70 SHN CMB H5 SING N N 71 SHN CMB H6 SING N N 72 SHN CAA H7 SING N N 73 SHN CAA H8 SING N N 74 SHN CAB H9 SING N N 75 SHN CAB H10 SING N N 76 SHN CAC H11 SING N N 77 SHN CAC H12 SING N N 78 SHN CAD H13 SING N N 79 SHN CAD H14 SING N N 80 SHN CBA H15 SING N N 81 SHN CBA H16 SING N N 82 SHN CBB H17 SING N N 83 SHN CBB H18 SING N N 84 SHN CBC H19 SING N N 85 SHN CBC H20 SING N N 86 SHN CBD H21 SING N N 87 SHN CBD H22 SING N N 88 SHN CDA H23 SING N N 89 SHN CDA H24 SING N N 90 SHN CDB H25 SING N N 91 SHN CDB H26 SING N N 92 SHN CDC H27 SING N N 93 SHN CDC H28 SING N N 94 SHN CDD H29 SING N N 95 SHN CDD H30 SING N N 96 SHN CHA H31 SING N N 97 SHN CHB H32 SING N N 98 SHN CHC H33 SING N N 99 SHN CHD H34 SING N N 100 SHN O1A H37 SING N N 101 SHN O1C H38 SING N N 102 SHN O2B H39 SING N N 103 SHN O2D H40 SING N N 104 SHN O3A H41 SING N N 105 SHN O3B H42 SING N N 106 SHN O3C H43 SING N N 107 SHN O4D H44 SING N N 108 SHN NB H45 SING N N 109 SHN ND H46 SING N N 110 SHN C3A H47 SING N N 111 SHN C3B H48 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 SHN SMILES ACDLabs 12.01 "C4(C)(c5cc1nc(c(c1CC(O)=O)CCC(O)=O)cc2C(=C(c(n2)cc3nc(C(C)(C3CCC(=O)O)CC(O)=O)cc(C4CCC(O)=O)n5)CC(O)=O)CCC(=O)O)CC(O)=O" SHN InChI InChI 1.03 "InChI=1S/C42H46N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h13-16,23-24,44-45H,3-12,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/b25-13-,29-14-,31-15-,32-16-/t23?,24?,41-,42-/m0/s1" SHN InChIKey InChI 1.03 KWIZRXMMFRBUML-OWSSXZAMSA-N SHN SMILES_CANONICAL CACTVS 3.385 "C[C@]1(CC(O)=O)[C@H](CCC(O)=O)c2[nH]c1cc3nc(cc4[nH]c(cc5nc(c2)c(CC(O)=O)c5CCC(O)=O)c(CCC(O)=O)c4CC(O)=O)[C@@](C)(CC(O)=O)[C@@H]3CCC(O)=O" SHN SMILES CACTVS 3.385 "C[C]1(CC(O)=O)[CH](CCC(O)=O)c2[nH]c1cc3nc(cc4[nH]c(cc5nc(c2)c(CC(O)=O)c5CCC(O)=O)c(CCC(O)=O)c4CC(O)=O)[C](C)(CC(O)=O)[CH]3CCC(O)=O" SHN SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CC1(/c/2c/c3n/c(c\c4c(c(c([nH]4)cc5nc(/cc(\[nH]2)/C1CCC(=O)O)C(=C5CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)/C(C3CCC(=O)O)(C)CC(=O)O)CC(=O)O" SHN SMILES "OpenEye OEToolkits" 2.0.7 "CC1(c2cc3nc(cc4c(c(c([nH]4)cc5nc(cc([nH]2)C1CCC(=O)O)C(=C5CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)C(C3CCC(=O)O)(C)CC(=O)O)CC(=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 SHN "SYSTEMATIC NAME" ACDLabs 12.01 "3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid" SHN "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "3-[(5~{Z},10~{Z},14~{Z})-3,7,12,17-tetrakis(2-hydroxy-2-oxoethyl)-8,13,18-tris(3-hydroxy-3-oxopropyl)-7,12-dimethyl-8,13,21,23-tetrahydroporphyrin-2-yl]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 SHN "Create component" 2019-06-20 RCSB SHN "Other modification" 2019-07-23 RCSB SHN "Initial release" 2020-02-26 RCSB ##