data_A1MC2
# 
_chem_comp.id                                    A1MC2 
_chem_comp.name                                  "[(2~{R},3~{S},4~{R},5~{R})-5-[[(3~{R},5~{S},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-17-[(2~{R})-6-methylheptan-2-yl]-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphite" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             ATOMN 
_chem_comp.formula                               "C32 H55 O8 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2025-12-11 
_chem_comp.pdbx_modified_date                    2026-07-10 
_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                        598.748 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1MC2 
_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        21ET 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBJ 
_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 
A1MC2 C4     C1  C 0 1 N N N N N N 17.146 20.930 16.244 1.398   -0.497 0.884  C4     A1MC2 1  
A1MC2 C5     C2  C 0 1 N N S N N N 15.697 21.423 16.406 0.721   -1.672 0.171  C5     A1MC2 2  
A1MC2 C6     C3  C 0 1 N N N N N N 15.739 22.699 16.009 -0.100  -2.425 1.185  C6     A1MC2 3  
A1MC2 C7     C4  C 0 1 N N N N N N 14.770 23.215 14.935 -1.392  -2.351 1.279  C7     A1MC2 4  
A1MC2 C8     C5  C 0 1 N N S N N N 13.434 22.587 15.295 -2.243  -1.525 0.370  C8     A1MC2 5  
A1MC2 C10    C6  C 0 1 N N S N N N 14.645 20.431 15.833 -0.178  -1.157 -0.951 C10    A1MC2 6  
A1MC2 C13    C7  C 0 1 N N R N N N 10.990 22.610 14.710 -4.222  -0.127 -0.016 C13    A1MC2 7  
A1MC2 C15    C8  C 0 1 N N N N N N 12.163 24.686 14.598 -4.376  -1.645 1.825  C15    A1MC2 8  
A1MC2 C17    C9  C 0 1 N N R N N N 10.087 23.510 13.852 -5.478  0.296  0.736  C17    A1MC2 9  
A1MC2 C20    C10 C 0 1 N N R N N N 8.653  23.598 14.385 -6.698  0.220  -0.185 C20    A1MC2 10 
A1MC2 C21    C11 C 0 1 N N N N N N 7.831  22.338 14.048 -6.522  1.201  -1.346 C21    A1MC2 11 
A1MC2 C22    C12 C 0 1 N N N N N N 8.032  24.866 13.765 -7.957  0.584  0.604  C22    A1MC2 12 
A1MC2 C24    C13 C 0 1 N N N N N N 5.921  26.320 13.950 -10.448 0.752  0.508  C24    A1MC2 13 
A1MC2 C26    C14 C 0 1 N N N N N N 5.238  28.093 15.673 -11.831 -0.928 -0.719 C26    A1MC2 14 
A1MC2 C1     C15 C 0 1 N N N N N N 15.358 19.397 14.970 0.570   -0.242 -1.906 C1     A1MC2 15 
A1MC2 "C1'"  C16 C 0 1 N N R N N N 18.685 17.817 17.307 4.056   1.840  -0.044 "C1'"  A1MC2 16 
A1MC2 C11    C17 C 0 1 N N N N N N 12.132 20.447 15.334 -2.196  0.325  -1.343 C11    A1MC2 17 
A1MC2 C12    C18 C 0 1 N N N N N N 10.956 21.081 14.554 -3.422  0.983  -0.663 C12    A1MC2 18 
A1MC2 C14    C19 C 0 1 N N S N N N 12.372 23.181 14.390 -3.346  -0.782 1.090  C14    A1MC2 19 
A1MC2 C16    C20 C 0 1 N N N N N N 10.700 24.908 14.131 -5.620  -0.718 1.899  C16    A1MC2 20 
A1MC2 C18    C21 C 0 1 N N N N N N 10.657 22.901 16.177 -4.584  -1.177 -1.068 C18    A1MC2 21 
A1MC2 C19    C22 C 0 1 N N N N N N 13.932 19.620 16.922 -0.688  -2.361 -1.745 C19    A1MC2 22 
A1MC2 C2     C23 C 0 1 N N N N N N 16.331 18.585 15.850 1.207   0.922  -1.145 C2     A1MC2 23 
A1MC2 "C2'"  C24 C 0 1 N N R N N N 19.841 16.935 16.891 4.662   3.032  0.730  "C2'"  A1MC2 24 
A1MC2 C23    C25 C 0 1 N N N N N N 6.493  24.889 13.849 -9.189  0.387  -0.281 C23    A1MC2 25 
A1MC2 C25    C26 C 0 1 N N N N N N 5.247  26.592 15.316 -11.680 0.555  -0.377 C25    A1MC2 26 
A1MC2 C27    C27 C 0 1 N N N N N N 5.876  25.755 16.451 -12.926 1.037  0.369  C27    A1MC2 27 
A1MC2 C3     C28 C 0 1 N N R N N N 17.290 19.471 16.666 2.183   0.346  -0.119 C3     A1MC2 28 
A1MC2 "C3'"  C29 C 0 1 N N S N N N 20.992 17.623 17.606 6.185   2.777  0.679  "C3'"  A1MC2 29 
A1MC2 "C4'"  C30 C 0 1 N N R N N N 20.359 18.124 18.906 6.319   1.462  -0.120 "C4'"  A1MC2 30 
A1MC2 "C5'"  C31 C 0 1 N N N N N N 20.849 19.462 19.397 7.450   0.604  0.450  "C5'"  A1MC2 31 
A1MC2 C9     C32 C 0 1 N N S N N N 13.509 21.080 15.013 -1.382  -0.458 -0.325 C9     A1MC2 32 
A1MC2 O1     O1  O 0 1 N N N N N N 18.629 19.003 16.521 2.832   1.420  0.564  O1     A1MC2 33 
A1MC2 "O2'"  O2  O 0 1 N N N N N N 19.620 15.651 17.446 4.339   4.265  0.085  "O2'"  A1MC2 34 
A1MC2 "O3'"  O3  O 0 1 N N N N N N 22.103 16.775 17.832 6.849   3.845  -0.000 "O3'"  A1MC2 35 
A1MC2 "O4'"  O4  O 0 1 N N N N N N 18.931 18.188 18.633 5.049   0.796  0.050  "O4'"  A1MC2 36 
A1MC2 "O5'"  O5  O 0 1 N N N N N N 20.159 20.548 18.794 7.634   -0.550 -0.371 "O5'"  A1MC2 37 
A1MC2 OP1    O6  O 0 1 N N N N N N 19.258 22.675 19.677 8.564   -2.186 1.311  OP1    A1MC2 38 
A1MC2 OP2    O7  O 0 1 N N N N N N 21.757 21.954 20.075 8.581   -2.888 -1.114 OP2    A1MC2 39 
A1MC2 P      P1  P 0 1 N N N N N N 20.524 22.044 19.197 8.744   -1.676 -0.067 P      A1MC2 40 
A1MC2 H1     H1  H 0 1 N N N N N N 17.441 21.028 15.189 0.638   0.123  1.360  H1     A1MC2 41 
A1MC2 H2     H2  H 0 1 N N N N N N 17.806 21.550 16.868 2.078   -0.880 1.645  H2     A1MC2 42 
A1MC2 H3     H3  H 0 1 N N N N N N 15.518 21.425 17.491 1.482   -2.332 -0.246 H3     A1MC2 43 
A1MC2 H4     H4  H 0 1 N N N N N N 16.460 23.373 16.447 0.420   -3.070 1.878  H4     A1MC2 44 
A1MC2 H6     H6  H 0 1 N N N N N N 14.989 23.876 14.109 -1.880  -2.918 2.058  H6     A1MC2 45 
A1MC2 H8     H8  H 0 1 N N N N N N 13.191 22.769 16.352 -2.686  -2.172 -0.387 H8     A1MC2 46 
A1MC2 H9     H9  H 0 1 N N N N N N 12.866 25.270 13.986 -4.601  -2.547 1.255  H9     A1MC2 47 
A1MC2 H10    H10 H 0 1 N N N N N N 12.285 24.959 15.657 -4.023  -1.901 2.824  H10    A1MC2 48 
A1MC2 H11    H11 H 0 1 N N N N N N 10.124 23.246 12.785 -5.364  1.306  1.127  H11    A1MC2 49 
A1MC2 H12    H12 H 0 1 N N N N N N 8.686  23.718 15.478 -6.795  -0.793 -0.577 H12    A1MC2 50 
A1MC2 H13    H13 H 0 1 N N N N N N 8.304  21.457 14.506 -5.625  0.942  -1.908 H13    A1MC2 51 
A1MC2 H14    H14 H 0 1 N N N N N N 6.810  22.451 14.440 -7.391  1.147  -2.002 H14    A1MC2 52 
A1MC2 H15    H15 H 0 1 N N N N N N 7.792  22.207 12.957 -6.425  2.214  -0.954 H15    A1MC2 53 
A1MC2 H16    H16 H 0 1 N N N N N N 8.326  24.918 12.706 -8.034  -0.059 1.482  H16    A1MC2 54 
A1MC2 H17    H17 H 0 1 N N N N N N 8.425  25.745 14.298 -7.899  1.625  0.921  H17    A1MC2 55 
A1MC2 H18    H18 H 0 1 N N N N N N 6.742  27.039 13.812 -10.525 0.109  1.386  H18    A1MC2 56 
A1MC2 H19    H19 H 0 1 N N N N N N 5.174  26.459 13.154 -10.390 1.793  0.825  H19    A1MC2 57 
A1MC2 H20    H20 H 0 1 N N N N N N 4.751  28.235 16.649 -12.709 -1.068 -1.350 H20    A1MC2 58 
A1MC2 H21    H21 H 0 1 N N N N N N 6.272  28.464 15.722 -10.943 -1.271 -1.250 H21    A1MC2 59 
A1MC2 H22    H22 H 0 1 N N N N N N 4.685  28.650 14.902 -11.949 -1.503 0.200  H22    A1MC2 60 
A1MC2 H23    H23 H 0 1 N N N N N N 14.617 18.720 14.520 1.350   -0.811 -2.411 H23    A1MC2 61 
A1MC2 H24    H24 H 0 1 N N N N N N 15.920 19.907 14.174 -0.126  0.151  -2.647 H24    A1MC2 62 
A1MC2 "H1'"  H25 H 0 1 N N N N N N 17.745 17.251 17.223 3.887   2.112  -1.086 "H1'"  A1MC2 63 
A1MC2 H26    H26 H 0 1 N N N N N N 11.938 20.566 16.410 -2.538  -0.346 -2.131 H26    A1MC2 64 
A1MC2 H27    H27 H 0 1 N N N N N N 12.176 19.376 15.085 -1.567  1.101  -1.778 H27    A1MC2 65 
A1MC2 H28    H28 H 0 1 N N N N N N 10.005 20.695 14.950 -4.032  1.490  -1.410 H28    A1MC2 66 
A1MC2 H29    H29 H 0 1 N N N N N N 11.042 20.821 13.489 -3.098  1.695  0.097  H29    A1MC2 67 
A1MC2 H30    H30 H 0 1 N N N N N N 12.622 22.983 13.337 -2.926  -0.033 1.762  H30    A1MC2 68 
A1MC2 H31    H31 H 0 1 N N N N N N 10.686 25.515 13.214 -6.531  -1.303 1.776  H31    A1MC2 69 
A1MC2 H32    H32 H 0 1 N N N N N N 10.127 25.420 14.918 -5.638  -0.191 2.853  H32    A1MC2 70 
A1MC2 H33    H33 H 0 1 N N N N N N 11.285 22.274 16.827 -5.282  -0.746 -1.786 H33    A1MC2 71 
A1MC2 H34    H34 H 0 1 N N N N N N 10.850 23.962 16.393 -3.681  -1.498 -1.587 H34    A1MC2 72 
A1MC2 H35    H35 H 0 1 N N N N N N 9.597  22.676 16.364 -5.048  -2.035 -0.581 H35    A1MC2 73 
A1MC2 H36    H36 H 0 1 N N N N N N 13.389 20.303 17.592 -1.252  -3.019 -1.084 H36    A1MC2 74 
A1MC2 H37    H37 H 0 1 N N N N N N 13.221 18.923 16.454 -1.333  -2.017 -2.553 H37    A1MC2 75 
A1MC2 H38    H38 H 0 1 N N N N N N 14.675 19.052 17.501 0.159   -2.906 -2.163 H38    A1MC2 76 
A1MC2 H39    H39 H 0 1 N N N N N N 15.743 17.971 16.548 1.754   1.558  -1.841 H39    A1MC2 77 
A1MC2 H40    H40 H 0 1 N N N N N N 16.928 17.930 15.199 0.430   1.503  -0.649 H40    A1MC2 78 
A1MC2 "H2'"  H41 H 0 1 N N N N N N 19.982 16.926 15.800 4.308   3.037  1.761  "H2'"  A1MC2 79 
A1MC2 H42    H42 H 0 1 N N N N N N 6.084  24.410 12.947 -9.112  1.030  -1.158 H42    A1MC2 80 
A1MC2 H43    H43 H 0 1 N N N N N N 6.181  24.322 14.739 -9.247  -0.654 -0.598 H43    A1MC2 81 
A1MC2 H44    H44 H 0 1 N N N N N N 4.197  26.276 15.226 -11.562 1.130  -1.296 H44    A1MC2 82 
A1MC2 H45    H45 H 0 1 N N N N N N 5.367  25.981 17.399 -12.818 2.094  0.612  H45    A1MC2 83 
A1MC2 H46    H46 H 0 1 N N N N N N 5.766  24.685 16.222 -13.804 0.897  -0.262 H46    A1MC2 84 
A1MC2 H47    H47 H 0 1 N N N N N N 6.944  26.003 16.540 -13.044 0.462  1.288  H47    A1MC2 85 
A1MC2 H48    H48 H 0 1 N N N N N N 16.995 19.396 17.723 2.928   -0.277 -0.614 H48    A1MC2 86 
A1MC2 "H3'"  H49 H 0 1 N N N N N N 21.301 18.496 17.012 6.587   2.657  1.685  "H3'"  A1MC2 87 
A1MC2 "H4'"  H50 H 0 1 N N N N N N 20.544 17.375 19.690 6.499   1.675  -1.174 "H4'"  A1MC2 88 
A1MC2 "H5''" H51 H 0 0 N N N N N N 21.920 19.552 19.165 8.372   1.186  0.471  "H5''" A1MC2 89 
A1MC2 "H5'"  H52 H 0 1 N N N N N N 20.704 19.513 20.486 7.195   0.293  1.463  "H5'"  A1MC2 90 
A1MC2 H53    H53 H 0 1 N N N N N N 13.720 20.932 13.944 -1.009  0.235  0.430  H53    A1MC2 91 
A1MC2 "HO2'" H54 H 0 0 N N N N N N 20.333 15.073 17.201 3.390   4.446  0.035  "HO2'" A1MC2 92 
A1MC2 "HO3'" H55 H 0 0 N Y N N N N 22.786 17.260 18.280 6.746   4.707  0.427  "HO3'" A1MC2 93 
A1MC2 HOP2   H57 H 0 0 N N N N N N 21.574 22.348 20.920 9.219   -3.603 -0.990 HOP2   A1MC2 94 
A1MC2 O3P    O3P O 0 1 N Y N N N N 20.897 22.779 17.812 10.213  -1.033 -0.214 O3P    A1MC2 95 
A1MC2 HOP3   H7  H 0 0 N N N N N N 20.240 23.437 17.615 10.401  -0.678 -1.093 HOP3   A1MC2 96 
# 
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 
A1MC2 C22   C23    SING N N 1   
A1MC2 C22   C20    SING N N 2   
A1MC2 C23   C24    SING N N 3   
A1MC2 C17   C16    SING N N 4   
A1MC2 C17   C20    SING N N 5   
A1MC2 C17   C13    SING N N 6   
A1MC2 C24   C25    SING N N 7   
A1MC2 C21   C20    SING N N 8   
A1MC2 C16   C15    SING N N 9   
A1MC2 C14   C15    SING N N 10  
A1MC2 C14   C13    SING N N 11  
A1MC2 C14   C8     SING N N 12  
A1MC2 C12   C13    SING N N 13  
A1MC2 C12   C11    SING N N 14  
A1MC2 C13   C18    SING N N 15  
A1MC2 C7    C8     SING N N 16  
A1MC2 C7    C6     DOUB N N 17  
A1MC2 C1    C10    SING N N 18  
A1MC2 C1    C2     SING N N 19  
A1MC2 C9    C8     SING N N 20  
A1MC2 C9    C11    SING N N 21  
A1MC2 C9    C10    SING N N 22  
A1MC2 C25   C26    SING N N 23  
A1MC2 C25   C27    SING N N 24  
A1MC2 C10   C5     SING N N 25  
A1MC2 C10   C19    SING N N 26  
A1MC2 C2    C3     SING N N 27  
A1MC2 C6    C5     SING N N 28  
A1MC2 C4    C5     SING N N 29  
A1MC2 C4    C3     SING N N 30  
A1MC2 O1    C3     SING N N 31  
A1MC2 O1    "C1'"  SING N N 32  
A1MC2 "C2'" "C1'"  SING N N 33  
A1MC2 "C2'" "O2'"  SING N N 34  
A1MC2 "C2'" "C3'"  SING N N 35  
A1MC2 "C1'" "O4'"  SING N N 36  
A1MC2 "C3'" "O3'"  SING N N 37  
A1MC2 "C3'" "C4'"  SING N N 38  
A1MC2 "O4'" "C4'"  SING N N 39  
A1MC2 "O5'" P      SING N N 40  
A1MC2 "O5'" "C5'"  SING N N 41  
A1MC2 "C4'" "C5'"  SING N N 42  
A1MC2 P     OP1    DOUB N N 43  
A1MC2 P     OP2    SING N N 44  
A1MC2 C4    H1     SING N N 45  
A1MC2 C4    H2     SING N N 46  
A1MC2 C5    H3     SING N N 47  
A1MC2 C6    H4     SING N N 48  
A1MC2 C7    H6     SING N N 49  
A1MC2 C8    H8     SING N N 50  
A1MC2 C15   H9     SING N N 51  
A1MC2 C15   H10    SING N N 52  
A1MC2 C17   H11    SING N N 53  
A1MC2 C20   H12    SING N N 54  
A1MC2 C21   H13    SING N N 55  
A1MC2 C21   H14    SING N N 56  
A1MC2 C21   H15    SING N N 57  
A1MC2 C22   H16    SING N N 58  
A1MC2 C22   H17    SING N N 59  
A1MC2 C24   H18    SING N N 60  
A1MC2 C24   H19    SING N N 61  
A1MC2 C26   H20    SING N N 62  
A1MC2 C26   H21    SING N N 63  
A1MC2 C26   H22    SING N N 64  
A1MC2 C1    H23    SING N N 65  
A1MC2 C1    H24    SING N N 66  
A1MC2 "C1'" "H1'"  SING N N 67  
A1MC2 C11   H26    SING N N 68  
A1MC2 C11   H27    SING N N 69  
A1MC2 C12   H28    SING N N 70  
A1MC2 C12   H29    SING N N 71  
A1MC2 C14   H30    SING N N 72  
A1MC2 C16   H31    SING N N 73  
A1MC2 C16   H32    SING N N 74  
A1MC2 C18   H33    SING N N 75  
A1MC2 C18   H34    SING N N 76  
A1MC2 C18   H35    SING N N 77  
A1MC2 C19   H36    SING N N 78  
A1MC2 C19   H37    SING N N 79  
A1MC2 C19   H38    SING N N 80  
A1MC2 C2    H39    SING N N 81  
A1MC2 C2    H40    SING N N 82  
A1MC2 "C2'" "H2'"  SING N N 83  
A1MC2 C23   H42    SING N N 84  
A1MC2 C23   H43    SING N N 85  
A1MC2 C25   H44    SING N N 86  
A1MC2 C27   H45    SING N N 87  
A1MC2 C27   H46    SING N N 88  
A1MC2 C27   H47    SING N N 89  
A1MC2 C3    H48    SING N N 90  
A1MC2 "C3'" "H3'"  SING N N 91  
A1MC2 "C4'" "H4'"  SING N N 92  
A1MC2 "C5'" "H5''" SING N N 93  
A1MC2 "C5'" "H5'"  SING N N 94  
A1MC2 C9    H53    SING N N 95  
A1MC2 "O2'" "HO2'" SING N N 96  
A1MC2 "O3'" "HO3'" SING N N 97  
A1MC2 OP2   HOP2   SING N N 98  
A1MC2 P     O3P    SING N N 99  
A1MC2 O3P   HOP3   SING N N 100 
# 
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 
A1MC2 InChI            InChI                1.06  "InChI=1S/C32H55O8P/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-31(21,4)26(23)14-16-32(24,25)5)39-30-29(34)28(33)27(40-30)18-38-41(35,36)37/h9-10,19-30,33-34H,6-8,11-18H2,1-5H3,(H2,35,36,37)/t20-,21-,22-,23+,24-,25+,26+,27-,28-,29-,30-,31+,32-/m1/s1" 
A1MC2 InChIKey         InChI                1.06  LHHGQIGLZBULDH-CYTUMXIYSA-N                                                                                                                                                                                                                                          
A1MC2 SMILES_CANONICAL CACTVS               3.385 "CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]5O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]5O"                                                                                                                                    
A1MC2 SMILES           CACTVS               3.385 "CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3C=C[CH]4C[CH](CC[C]4(C)[CH]3CC[C]12C)O[CH]5O[CH](CO[P](O)(O)=O)[CH](O)[CH]5O"                                                                                                                                                       
A1MC2 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C[C@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)C)C"                                                                                                                                   
A1MC2 SMILES           "OpenEye OEToolkits" 2.0.7 "CC(C)CCCC(C)C1CCC2C1(CCC3C2C=CC4C3(CCC(C4)OC5C(C(C(O5)COP(=O)(O)O)O)O)C)C"                                                                                                                                                                                          
# 
_pdbx_chem_comp_identifier.comp_id           A1MC2 
_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        "[(2~{R},3~{S},4~{R},5~{R})-5-[[(3~{R},5~{S},8~{S},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-17-[(2~{R})-6-methylheptan-2-yl]-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen 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 
A1MC2 "Create component"   2025-12-11 PDBJ 
A1MC2 "Modify coordinates" 2025-12-12 PDBJ 
A1MC2 "Initial release"    2026-07-15 RCSB 
# 
