data_A1CB8
# 
_chem_comp.id                                    A1CB8 
_chem_comp.name                                  "(4S,8S,12R,16S,20S)-4,8,12,16,20-pentamethylheptacosyl dihydrogen phosphate" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C32 H67 O4 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2025-05-09 
_chem_comp.pdbx_modified_date                    2025-11-14 
_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                        546.846 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1CB8 
_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        9OHY 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_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 
A1CB8 C01 C1  C 0 1 N N N N N N 3.206  -30.975 -25.171 -19.763 1.407  -0.122 C01 A1CB8 1   
A1CB8 C02 C2  C 0 1 N N N N N N 4.082  -29.746 -25.406 -18.526 0.801  -0.788 C02 A1CB8 2   
A1CB8 C03 C3  C 0 1 N N N N N N 3.560  -28.850 -26.543 -17.296 1.070  0.081  C03 A1CB8 3   
A1CB8 C04 C4  C 0 1 N N N N N N 4.241  -27.479 -26.644 -16.059 0.464  -0.585 C04 A1CB8 4   
A1CB8 C05 C5  C 0 1 N N N N N N 3.640  -26.544 -27.704 -14.828 0.733  0.284  C05 A1CB8 5   
A1CB8 C06 C6  C 0 1 N N N N N N 3.996  -25.067 -27.471 -13.591 0.127  -0.382 C06 A1CB8 6   
A1CB8 C07 C7  C 0 1 N N N N N N 2.868  -24.155 -27.954 -12.361 0.396  0.487  C07 A1CB8 7   
A1CB8 C08 C8  C 0 1 N N S N N N 2.749  -22.759 -27.329 -11.124 -0.210 -0.178 C08 A1CB8 8   
A1CB8 C09 C9  C 0 1 N N N N N N 2.830  -22.775 -25.819 -11.263 -1.733 -0.223 C09 A1CB8 9   
A1CB8 C10 C10 C 0 1 N N N N N N 1.447  -22.074 -27.722 -9.877  0.165  0.625  C10 A1CB8 10  
A1CB8 C11 C11 C 0 1 N N N N N N 1.383  -20.628 -27.243 -8.630  -0.334 -0.107 C11 A1CB8 11  
A1CB8 C12 C12 C 0 1 N N N N N N 2.269  -19.739 -28.093 -7.383  0.041  0.697  C12 A1CB8 12  
A1CB8 C13 C13 C 0 1 N N S N N N 1.625  -18.459 -28.591 -6.135  -0.458 -0.035 C13 A1CB8 13  
A1CB8 C14 C14 C 0 1 N N N N N N 0.152  -18.617 -28.916 -6.146  -1.987 -0.075 C14 A1CB8 14  
A1CB8 C15 C15 C 0 1 N N N N N N 2.389  -18.015 -29.830 -4.884  0.024  0.702  C15 A1CB8 15  
A1CB8 C16 C16 C 0 1 N N N N N N 1.547  -17.431 -30.955 -3.639  -0.368 -0.096 C16 A1CB8 16  
A1CB8 C17 C17 C 0 1 N N N N N N 1.866  -18.241 -32.201 -2.388  0.114  0.641  C17 A1CB8 17  
A1CB8 C18 C18 C 0 1 N N R N N N 2.890  -17.587 -33.118 -1.143  -0.278 -0.156 C18 A1CB8 18  
A1CB8 C19 C19 C 0 1 N N N N N N 2.786  -16.082 -33.121 -1.138  0.467  -1.493 C19 A1CB8 19  
A1CB8 C20 C20 C 0 1 N N N N N N 4.317  -18.049 -32.887 0.110   0.093  0.639  C20 A1CB8 20  
A1CB8 C21 C21 C 0 1 N N N N N N 4.827  -18.697 -34.163 1.351   -0.411 -0.100 C21 A1CB8 21  
A1CB8 C22 C22 C 0 1 N N N N N N 6.329  -18.921 -34.125 2.605   -0.040 0.695  C22 A1CB8 22  
A1CB8 C23 C23 C 0 1 N N S N N N 6.642  -20.027 -33.135 3.846   -0.544 -0.044 C23 A1CB8 23  
A1CB8 C24 C24 C 0 1 N N N N N N 7.634  -19.436 -32.160 3.830   -2.073 -0.084 C24 A1CB8 24  
A1CB8 C25 C25 C 0 1 N N N N N N 7.204  -21.270 -33.813 5.103   -0.066 0.685  C25 A1CB8 25  
A1CB8 C26 C26 C 0 1 N N N N N N 6.689  -22.585 -33.225 6.342   -0.463 -0.120 C26 A1CB8 26  
A1CB8 C27 C27 C 0 1 N N N N N N 6.765  -23.638 -34.327 7.599   0.015  0.609  C27 A1CB8 27  
A1CB8 C28 C28 C 0 1 N N S N N N 6.334  -25.040 -33.927 8.838   -0.382 -0.196 C28 A1CB8 28  
A1CB8 C29 C29 C 0 1 N N N N N N 7.033  -25.443 -32.628 8.950   -1.907 -0.241 C29 A1CB8 29  
A1CB8 C30 C30 C 0 1 N N N N N N 6.649  -25.978 -35.098 10.086  0.203  0.467  C30 A1CB8 30  
A1CB8 C31 C31 C 0 1 N N N N N N 5.534  -26.018 -36.144 11.310  -0.087 -0.404 C31 A1CB8 31  
A1CB8 C32 C32 C 0 1 N N N N N N 6.034  -26.493 -37.507 12.559  0.497  0.260  C32 A1CB8 32  
A1CB8 O33 O1  O 0 1 N N N N N N 5.618  -27.812 -37.754 13.702  0.226  -0.554 O33 A1CB8 33  
A1CB8 O35 O2  O 0 1 N N N N N N 4.132  -26.761 -39.532 16.239  0.111  -1.231 O35 A1CB8 34  
A1CB8 O36 O3  O 0 1 N N N N N N 3.346  -28.864 -38.491 15.262  2.306  -0.164 O36 A1CB8 35  
A1CB8 O37 O4  O 0 1 N N N N N N 5.181  -28.909 -40.103 15.527  0.191  1.189  O37 A1CB8 36  
A1CB8 P34 P1  P 0 1 N N N N N N 4.553  -28.101 -38.988 15.190  0.698  -0.160 P34 A1CB8 37  
A1CB8 H1  H1  H 0 1 N N N N N N 3.627  -31.575 -24.350 -20.639 1.215  -0.741 H1  A1CB8 38  
A1CB8 H2  H2  H 0 1 N N N N N N 2.188  -30.654 -24.905 -19.906 0.955  0.859  H2  A1CB8 39  
A1CB8 H3  H3  H 0 1 N N N N N N 3.172  -31.582 -26.088 -19.625 2.482  -0.011 H3  A1CB8 40  
A1CB8 H4  H4  H 0 1 N N N N N N 5.098  -30.082 -25.662 -18.663 -0.275 -0.900 H4  A1CB8 41  
A1CB8 H5  H5  H 0 1 N N N N N N 4.114  -29.155 -24.479 -18.383 1.253  -1.770 H5  A1CB8 42  
A1CB8 H6  H6  H 0 1 N N N N N N 2.484  -28.687 -26.384 -17.158 2.145  0.193  H6  A1CB8 43  
A1CB8 H7  H7  H 0 1 N N N N N N 3.714  -29.380 -27.495 -17.438 0.618  1.062  H7  A1CB8 44  
A1CB8 H8  H8  H 0 1 N N N N N N 5.301  -27.640 -26.889 -16.196 -0.612 -0.697 H8  A1CB8 45  
A1CB8 H9  H9  H 0 1 N N N N N N 4.162  -26.984 -25.665 -15.916 0.916  -1.566 H9  A1CB8 46  
A1CB8 H10 H10 H 0 1 N N N N N N 2.545  -26.648 -27.684 -14.691 1.808  0.396  H10 A1CB8 47  
A1CB8 H11 H11 H 0 1 N N N N N N 4.019  -26.844 -28.692 -14.971 0.281  1.266  H11 A1CB8 48  
A1CB8 H12 H12 H 0 1 N N N N N N 4.916  -24.826 -28.023 -13.729 -0.949 -0.493 H12 A1CB8 49  
A1CB8 H13 H13 H 0 1 N N N N N N 4.159  -24.900 -26.396 -13.449 0.579  -1.363 H13 A1CB8 50  
A1CB8 H14 H14 H 0 1 N N N N N N 3.000  -24.018 -29.037 -12.223 1.472  0.599  H14 A1CB8 51  
A1CB8 H15 H15 H 0 1 N N N N N N 1.920  -24.680 -27.764 -12.504 -0.056 1.469  H15 A1CB8 52  
A1CB8 H16 H16 H 0 1 N N N N N N 3.581  -22.148 -27.709 -11.032 0.176  -1.194 H16 A1CB8 53  
A1CB8 H17 H17 H 0 1 N N N N N N 2.738  -21.748 -25.435 -11.355 -2.119 0.793  H17 A1CB8 54  
A1CB8 H18 H18 H 0 1 N N N N N N 2.014  -23.391 -25.415 -12.151 -2.000 -0.795 H18 A1CB8 55  
A1CB8 H19 H19 H 0 1 N N N N N N 3.797  -23.197 -25.508 -10.382 -2.165 -0.697 H19 A1CB8 56  
A1CB8 H20 H20 H 0 1 N N N N N N 1.358  -22.087 -28.818 -9.826  1.249  0.732  H20 A1CB8 57  
A1CB8 H21 H21 H 0 1 N N N N N N 0.608  -22.630 -27.279 -9.928  -0.295 1.612  H21 A1CB8 58  
A1CB8 H22 H22 H 0 1 N N N N N N 1.721  -20.579 -26.197 -8.680  -1.418 -0.214 H22 A1CB8 59  
A1CB8 H23 H23 H 0 1 N N N N N N 0.344  -20.272 -27.310 -8.578  0.126  -1.094 H23 A1CB8 60  
A1CB8 H24 H24 H 0 1 N N N N N N 2.590  -20.320 -28.970 -7.332  1.125  0.803  H24 A1CB8 61  
A1CB8 H25 H25 H 0 1 N N N N N N 3.149  -19.464 -27.493 -7.434  -0.419 1.683  H25 A1CB8 62  
A1CB8 H26 H26 H 0 1 N N N N N N 1.734  -17.686 -27.816 -6.130  -0.068 -1.053 H26 A1CB8 63  
A1CB8 H27 H27 H 0 1 N N N N N N -0.391 -18.938 -28.015 -6.150  -2.378 0.942  H27 A1CB8 64  
A1CB8 H28 H28 H 0 1 N N N N N N -0.252 -17.655 -29.264 -7.037  -2.331 -0.601 H28 A1CB8 65  
A1CB8 H29 H29 H 0 1 N N N N N N 0.030  -19.373 -29.706 -5.257  -2.343 -0.597 H29 A1CB8 66  
A1CB8 H30 H30 H 0 1 N N N N N N 2.924  -18.890 -30.228 -4.921  1.108  0.809  H30 A1CB8 67  
A1CB8 H31 H31 H 0 1 N N N N N N 3.117  -17.250 -29.521 -4.844  -0.437 1.689  H31 A1CB8 68  
A1CB8 H32 H32 H 0 1 N N N N N N 1.806  -16.374 -31.113 -3.603  -1.452 -0.203 H32 A1CB8 69  
A1CB8 H33 H33 H 0 1 N N N N N N 0.478  -17.514 -30.711 -3.680  0.093  -1.083 H33 A1CB8 70  
A1CB8 H34 H34 H 0 1 N N N N N N 0.935  -18.384 -32.769 -2.425  1.198  0.748  H34 A1CB8 71  
A1CB8 H35 H35 H 0 1 N N N N N N 2.258  -19.220 -31.887 -2.348  -0.347 1.628  H35 A1CB8 72  
A1CB8 H36 H36 H 0 1 N N N N N N 2.630  -17.910 -34.137 -1.152  -1.352 -0.340 H36 A1CB8 73  
A1CB8 H37 H37 H 0 1 N N N N N N 1.740  -15.787 -33.291 -1.128  1.541  -1.309 H37 A1CB8 74  
A1CB8 H38 H38 H 0 1 N N N N N N 3.125  -15.689 -32.151 -0.251  0.188  -2.061 H38 A1CB8 75  
A1CB8 H39 H39 H 0 1 N N N N N N 3.417  -15.673 -33.923 -2.030  0.203  -2.059 H39 A1CB8 76  
A1CB8 H40 H40 H 0 1 N N N N N N 4.342  -18.779 -32.065 0.166   1.176  0.746  H40 A1CB8 77  
A1CB8 H41 H41 H 0 1 N N N N N N 4.949  -17.186 -32.631 0.064   -0.368 1.626  H41 A1CB8 78  
A1CB8 H42 H42 H 0 1 N N N N N N 4.587  -18.043 -35.014 1.296   -1.494 -0.207 H42 A1CB8 79  
A1CB8 H43 H43 H 0 1 N N N N N N 4.326  -19.668 -34.293 1.398   0.049  -1.087 H43 A1CB8 80  
A1CB8 H44 H44 H 0 1 N N N N N N 6.683  -19.211 -35.125 2.660   1.043  0.802  H44 A1CB8 81  
A1CB8 H45 H45 H 0 1 N N N N N N 6.832  -17.994 -33.812 2.558   -0.501 1.682  H45 A1CB8 82  
A1CB8 H46 H46 H 0 1 N N N N N N 5.723  -20.298 -32.595 3.846   -0.154 -1.062 H46 A1CB8 83  
A1CB8 H47 H47 H 0 1 N N N N N N 7.905  -20.192 -31.409 2.934   -2.414 -0.604 H47 A1CB8 84  
A1CB8 H48 H48 H 0 1 N N N N N N 8.536  -19.118 -32.703 4.714   -2.432 -0.611 H48 A1CB8 85  
A1CB8 H49 H49 H 0 1 N N N N N N 7.182  -18.567 -31.659 3.830   -2.464 0.933  H49 A1CB8 86  
A1CB8 H50 H50 H 0 1 N N N N N N 8.299  -21.252 -33.715 5.071   1.018  0.792  H50 A1CB8 87  
A1CB8 H51 H51 H 0 1 N N N N N N 6.931  -21.237 -34.878 5.148   -0.527 1.672  H51 A1CB8 88  
A1CB8 H52 H52 H 0 1 N N N N N N 5.648  -22.465 -32.891 6.374   -1.547 -0.227 H52 A1CB8 89  
A1CB8 H53 H53 H 0 1 N N N N N N 7.316  -22.887 -32.373 6.297   -0.002 -1.107 H53 A1CB8 90  
A1CB8 H54 H54 H 0 1 N N N N N N 7.808  -23.690 -34.674 7.567   1.099  0.716  H54 A1CB8 91  
A1CB8 H55 H55 H 0 1 N N N N N N 6.120  -23.309 -35.155 7.644   -0.446 1.596  H55 A1CB8 92  
A1CB8 H56 H56 H 0 1 N N N N N N 5.247  -25.042 -33.758 8.750   0.006  -1.211 H56 A1CB8 93  
A1CB8 H57 H57 H 0 1 N N N N N N 6.766  -24.733 -31.832 8.061   -2.323 -0.713 H57 A1CB8 94  
A1CB8 H58 H58 H 0 1 N N N N N N 6.714  -26.455 -32.339 9.833   -2.189 -0.814 H58 A1CB8 95  
A1CB8 H59 H59 H 0 1 N N N N N N 8.122  -25.432 -32.779 9.038   -2.294 0.774  H59 A1CB8 96  
A1CB8 H60 H60 H 0 1 N N N N N N 6.797  -26.994 -34.704 9.967   1.281  0.579  H60 A1CB8 97  
A1CB8 H61 H61 H 0 1 N N N N N N 7.574  -25.635 -35.584 10.223  -0.251 1.449  H61 A1CB8 98  
A1CB8 H62 H62 H 0 1 N N N N N N 5.115  -25.007 -36.254 11.429  -1.165 -0.516 H62 A1CB8 99  
A1CB8 H63 H63 H 0 1 N N N N N N 4.748  -26.705 -35.797 11.174  0.367  -1.385 H63 A1CB8 100 
A1CB8 H64 H64 H 0 1 N N N N N N 7.133  -26.451 -37.523 12.440  1.575  0.372  H64 A1CB8 101 
A1CB8 H65 H65 H 0 1 N N N N N N 5.630  -25.834 -38.290 12.695  0.043  1.241  H65 A1CB8 102 
A1CB8 H66 H66 H 0 1 N N N N N N 4.350  -26.711 -40.455 17.158  0.356  -1.056 H66 A1CB8 103 
A1CB8 H67 H67 H 0 1 N N N N N N 3.255  -29.670 -38.985 15.052  2.707  -1.018 H67 A1CB8 104 
# 
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 
A1CB8 O37 P34 DOUB N N 1   
A1CB8 O35 P34 SING N N 2   
A1CB8 P34 O36 SING N N 3   
A1CB8 P34 O33 SING N N 4   
A1CB8 O33 C32 SING N N 5   
A1CB8 C32 C31 SING N N 6   
A1CB8 C31 C30 SING N N 7   
A1CB8 C30 C28 SING N N 8   
A1CB8 C27 C28 SING N N 9   
A1CB8 C27 C26 SING N N 10  
A1CB8 C21 C22 SING N N 11  
A1CB8 C21 C20 SING N N 12  
A1CB8 C22 C23 SING N N 13  
A1CB8 C28 C29 SING N N 14  
A1CB8 C25 C26 SING N N 15  
A1CB8 C25 C23 SING N N 16  
A1CB8 C23 C24 SING N N 17  
A1CB8 C19 C18 SING N N 18  
A1CB8 C18 C20 SING N N 19  
A1CB8 C18 C17 SING N N 20  
A1CB8 C17 C16 SING N N 21  
A1CB8 C16 C15 SING N N 22  
A1CB8 C15 C13 SING N N 23  
A1CB8 C14 C13 SING N N 24  
A1CB8 C13 C12 SING N N 25  
A1CB8 C12 C11 SING N N 26  
A1CB8 C07 C06 SING N N 27  
A1CB8 C07 C08 SING N N 28  
A1CB8 C10 C08 SING N N 29  
A1CB8 C10 C11 SING N N 30  
A1CB8 C05 C06 SING N N 31  
A1CB8 C05 C04 SING N N 32  
A1CB8 C08 C09 SING N N 33  
A1CB8 C04 C03 SING N N 34  
A1CB8 C03 C02 SING N N 35  
A1CB8 C02 C01 SING N N 36  
A1CB8 C01 H1  SING N N 37  
A1CB8 C01 H2  SING N N 38  
A1CB8 C01 H3  SING N N 39  
A1CB8 C02 H4  SING N N 40  
A1CB8 C02 H5  SING N N 41  
A1CB8 C03 H6  SING N N 42  
A1CB8 C03 H7  SING N N 43  
A1CB8 C04 H8  SING N N 44  
A1CB8 C04 H9  SING N N 45  
A1CB8 C05 H10 SING N N 46  
A1CB8 C05 H11 SING N N 47  
A1CB8 C06 H12 SING N N 48  
A1CB8 C06 H13 SING N N 49  
A1CB8 C07 H14 SING N N 50  
A1CB8 C07 H15 SING N N 51  
A1CB8 C08 H16 SING N N 52  
A1CB8 C09 H17 SING N N 53  
A1CB8 C09 H18 SING N N 54  
A1CB8 C09 H19 SING N N 55  
A1CB8 C10 H20 SING N N 56  
A1CB8 C10 H21 SING N N 57  
A1CB8 C11 H22 SING N N 58  
A1CB8 C11 H23 SING N N 59  
A1CB8 C12 H24 SING N N 60  
A1CB8 C12 H25 SING N N 61  
A1CB8 C13 H26 SING N N 62  
A1CB8 C14 H27 SING N N 63  
A1CB8 C14 H28 SING N N 64  
A1CB8 C14 H29 SING N N 65  
A1CB8 C15 H30 SING N N 66  
A1CB8 C15 H31 SING N N 67  
A1CB8 C16 H32 SING N N 68  
A1CB8 C16 H33 SING N N 69  
A1CB8 C17 H34 SING N N 70  
A1CB8 C17 H35 SING N N 71  
A1CB8 C18 H36 SING N N 72  
A1CB8 C19 H37 SING N N 73  
A1CB8 C19 H38 SING N N 74  
A1CB8 C19 H39 SING N N 75  
A1CB8 C20 H40 SING N N 76  
A1CB8 C20 H41 SING N N 77  
A1CB8 C21 H42 SING N N 78  
A1CB8 C21 H43 SING N N 79  
A1CB8 C22 H44 SING N N 80  
A1CB8 C22 H45 SING N N 81  
A1CB8 C23 H46 SING N N 82  
A1CB8 C24 H47 SING N N 83  
A1CB8 C24 H48 SING N N 84  
A1CB8 C24 H49 SING N N 85  
A1CB8 C25 H50 SING N N 86  
A1CB8 C25 H51 SING N N 87  
A1CB8 C26 H52 SING N N 88  
A1CB8 C26 H53 SING N N 89  
A1CB8 C27 H54 SING N N 90  
A1CB8 C27 H55 SING N N 91  
A1CB8 C28 H56 SING N N 92  
A1CB8 C29 H57 SING N N 93  
A1CB8 C29 H58 SING N N 94  
A1CB8 C29 H59 SING N N 95  
A1CB8 C30 H60 SING N N 96  
A1CB8 C30 H61 SING N N 97  
A1CB8 C31 H62 SING N N 98  
A1CB8 C31 H63 SING N N 99  
A1CB8 C32 H64 SING N N 100 
A1CB8 C32 H65 SING N N 101 
A1CB8 O35 H66 SING N N 102 
A1CB8 O36 H67 SING N N 103 
# 
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 
A1CB8 SMILES           ACDLabs              14.52   "CC(CCCCCCC)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP(=O)(O)O"                                                                                                                                    
A1CB8 InChI            InChI                1.06    "InChI=1S/C32H67O4P/c1-7-8-9-10-11-17-28(2)18-12-19-29(3)20-13-21-30(4)22-14-23-31(5)24-15-25-32(6)26-16-27-36-37(33,34)35/h28-32H,7-27H2,1-6H3,(H2,33,34,35)/t28-,29-,30+,31-,32-/m0/s1" 
A1CB8 InChIKey         InChI                1.06    WLNOCCJMGSEDAT-LUKCZKMGSA-N                                                                                                                                                               
A1CB8 SMILES_CANONICAL CACTVS               3.385   "CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCC[C@H](C)CCCO[P](O)(O)=O"                                                                                                             
A1CB8 SMILES           CACTVS               3.385   "CCCCCCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCCO[P](O)(O)=O"                                                                                                                   
A1CB8 SMILES_CANONICAL "OpenEye OEToolkits" 3.1.0.0 "CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCC[C@H](C)CCCOP(=O)(O)O"                                                                                                               
A1CB8 SMILES           "OpenEye OEToolkits" 3.1.0.0 "CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP(=O)(O)O"                                                                                                                                    
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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 
A1CB8 "SYSTEMATIC NAME" ACDLabs              14.52   "(4S,8S,12R,16S,20S)-4,8,12,16,20-pentamethylheptacosyl dihydrogen phosphate"                  
A1CB8 "SYSTEMATIC NAME" "OpenEye OEToolkits" 3.1.0.0 "[(4~{S},8~{S},12~{R},16~{S},20~{S})-4,8,12,16,20-pentamethylheptacosyl] dihydrogen phosphate" 
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loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1CB8 "Create component" 2025-05-09 RCSB 
A1CB8 "Initial release"  2025-11-19 RCSB 
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