data_BJT
# 
_chem_comp.id                                    BJT 
_chem_comp.name                                  "[(2~{R},3~{S},4~{S})-2-[(2~{S},3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentoxy]phosphoryl]oxy-pentyl] [(2~{S},3~{R},4~{R})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl] hydrogen phosphate" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C26 H56 O34 P4" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2021-12-08 
_chem_comp.pdbx_modified_date                    2023-12-01 
_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                        1036.597 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     BJT 
_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        7QE6 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBE 
# 
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_backbone_atom_flag 
_chem_comp_atom.pdbx_n_terminal_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 
BJT C4  C1  C 0 1 N N R N N N -19.944 17.498 -33.308 2.046   1.600  -1.797 C4  BJT 1   
BJT C5  C2  C 0 1 N N S N N N -18.952 18.544 -33.792 2.034   0.891  -0.441 C5  BJT 2   
BJT C6  C3  C 0 1 N N N N N N -19.338 19.925 -33.272 1.238   1.725  0.564  C6  BJT 3   
BJT C3  C4  C 0 1 N N R N N N -19.486 16.153 -33.796 2.895   0.791  -2.782 C3  BJT 4   
BJT OBO O1  O 0 1 N N N N N N -15.033 17.669 -23.858 16.236  5.383  0.791  OBO BJT 5   
BJT PBN P1  P 0 1 N N N N N N -14.814 18.732 -25.054 16.081  3.780  0.751  PBN BJT 6   
BJT OCA O2  O 0 1 N N N N N N -13.214 18.800 -25.296 16.793  3.245  -0.430 OCA BJT 7   
BJT OAH O3  O 0 1 N N N N N N -15.399 20.051 -24.719 16.711  3.147  2.091  OAH BJT 8   
BJT OBM O4  O 0 1 N N N N N N -15.448 18.050 -26.351 14.521  3.394  0.658  OBM BJT 9   
BJT CBL C5  C 0 1 N N N N N N -16.722 18.496 -26.799 14.060  2.051  0.502  CBL BJT 10  
BJT CBK C6  C 0 1 N N R N N N -17.218 17.609 -27.947 12.531  2.039  0.449  CBK BJT 11  
BJT OBZ O5  O 0 1 N N N N N N -18.501 18.074 -28.376 12.090  2.729  -0.723 OBZ BJT 12  
BJT CBJ C7  C 0 1 N N R N N N -16.234 17.628 -29.128 12.033  0.593  0.407  CBJ BJT 13  
BJT OAG O6  O 0 1 N N N N N N -16.157 16.313 -29.675 12.474  -0.096 1.579  OAG BJT 14  
BJT CBI C8  C 0 1 N N S N N N -16.713 18.602 -30.209 10.503  0.582  0.354  CBI BJT 15  
BJT OBY O7  O 0 1 N N N N N N -16.508 19.938 -29.756 10.062  1.271  -0.817 OBY BJT 16  
BJT CBH C9  C 0 1 N N N N N N -15.943 18.368 -31.502 10.005  -0.864 0.312  CBH BJT 17  
BJT OBG O8  O 0 1 N N N N N N -15.171 19.521 -31.815 8.578   -0.879 0.380  OBG BJT 18  
BJT PBF P2  P 0 1 N N N N N N -15.036 20.016 -33.341 7.713   -2.236 0.360  PBF BJT 19  
BJT OBX O9  O 0 1 N N N N N N -13.523 20.555 -33.464 8.031   -3.095 1.685  OBX BJT 20  
BJT OAF O10 O 0 1 N N N N N N -16.027 21.063 -33.685 8.067   -3.030 -0.838 OAF BJT 21  
BJT OBE O11 O 0 1 N N N N N N -15.119 18.722 -34.264 6.145   -1.873 0.319  OBE BJT 22  
BJT CBD C10 C 0 1 N N N N N N -15.605 18.842 -35.587 5.120   -2.861 0.190  CBD BJT 23  
BJT CBC C11 C 0 1 N N R N N N -16.021 17.449 -36.046 3.751   -2.178 0.185  CBC BJT 24  
BJT O1  O12 O 0 1 N N N N N N -17.135 16.999 -35.273 3.633   -1.356 -0.979 O1  BJT 25  
BJT C1  C12 C 0 1 N N S N N N -18.477 17.310 -35.741 4.204   -0.054 -0.831 C1  BJT 26  
BJT O5  O13 O 0 1 N N N N N N -18.929 18.563 -35.224 3.376   0.735  0.026  O5  BJT 27  
BJT O6  O14 O 0 1 N N N N N N -20.762 20.052 -33.257 1.128   1.009  1.796  O6  BJT 28  
BJT O4  O15 O 0 1 N N N N N N -19.992 17.505 -31.878 0.710   1.705  -2.293 O4  BJT 29  
BJT O3  O16 O 0 1 N N N N N N -20.433 15.164 -33.409 2.972   1.485  -4.029 O3  BJT 30  
BJT C2  C13 C 0 1 N N S N N N -19.401 16.195 -35.311 4.303   0.619  -2.204 C2  BJT 31  
BJT O2  O17 O 0 1 N N N N N N -18.889 14.952 -35.793 5.083   -0.197 -3.080 O2  BJT 32  
BJT CBB C14 C 0 1 N N S N N N -16.319 17.453 -37.553 2.651   -3.240 0.172  CBB BJT 33  
BJT OAE O18 O 0 1 N N N N N N -16.780 18.743 -37.972 2.706   -3.997 1.383  OAE BJT 34  
BJT CBA C15 C 0 1 N N S N N N -15.041 17.132 -38.322 1.286   -2.560 0.058  CBA BJT 35  
BJT OBV O19 O 0 1 N N N N N N -14.279 16.174 -37.598 1.178   -1.918 -1.215 OBV BJT 36  
BJT CAZ C16 C 0 1 N N N N N N -15.391 16.535 -39.674 0.180   -3.608 0.195  CAZ BJT 37  
BJT OAY O20 O 0 1 N N N N N N -15.731 17.579 -40.572 -1.093  -2.959 0.205  OAY BJT 38  
BJT PAX P3  P 0 1 N N N N N N -16.352 17.189 -41.987 -2.484  -3.760 0.336  PAX BJT 39  
BJT OBU O21 O 0 1 N N N N N N -16.650 15.593 -41.947 -2.560  -4.471 1.778  OBU BJT 40  
BJT OAD O22 O 0 1 N N N N N N -15.413 17.507 -43.088 -2.564  -4.787 -0.726 OAD BJT 41  
BJT OAW O23 O 0 1 N N N N N N -17.787 17.895 -42.050 -3.712  -2.730 0.180  OAW BJT 42  
BJT CAV C17 C 0 1 N N N N N N -17.971 19.125 -42.749 -5.078  -3.148 0.146  CAV BJT 43  
BJT CAU C18 C 0 1 N N R N N N -18.448 20.200 -41.776 -5.982  -1.923 -0.010 CAU BJT 44  
BJT OBT O24 O 0 1 N N N N N N -18.370 21.479 -42.412 -5.742  -1.312 -1.279 OBT BJT 45  
BJT CAT C19 C 0 1 N N S N N N -19.889 19.918 -41.369 -7.447  -2.356 0.078  CAT BJT 46  
BJT OAC O25 O 0 1 N N N N N N -19.913 18.907 -40.363 -7.688  -2.967 1.347  OAC BJT 47  
BJT CAS C20 C 0 1 N N S N N N -20.508 21.185 -40.808 -8.351  -1.132 -0.078 CAS BJT 48  
BJT OBS O26 O 0 1 N N N N N N -21.057 21.951 -41.875 -8.111  -0.520 -1.347 OBS BJT 49  
BJT CAR C21 C 0 1 N N N N N N -21.619 20.798 -39.851 -9.816  -1.564 0.010  CAR BJT 50  
BJT OAQ O27 O 0 1 N N N N N N -22.514 21.891 -39.717 -10.657 -0.409 -0.019 OAQ BJT 51  
BJT PAP P4  P 0 1 N N N N N N -23.009 22.337 -38.248 -12.263 -0.491 0.056  PAP BJT 52  
BJT OBR O28 O 0 1 N N N N N N -24.281 23.307 -38.483 -12.663 -1.250 1.262  OBR BJT 53  
BJT OAB O29 O 0 1 N N N N N N -21.924 22.977 -37.470 -12.823 -1.236 -1.257 OAB BJT 54  
BJT OAO O30 O 0 1 N N N N N N -23.510 20.989 -37.530 -12.873 0.997  0.131  OAO BJT 55  
BJT CAN C22 C 0 1 N N N N N N -24.884 20.627 -37.410 -14.267 1.258  0.310  CAN BJT 56  
BJT CAM C23 C 0 1 N N R N N N -25.164 20.305 -35.944 -14.503 2.769  0.337  CAM BJT 57  
BJT OBQ O31 O 0 1 N N N N N N -24.211 19.336 -35.496 -14.175 3.325  -0.938 OBQ BJT 58  
BJT CAL C24 C 0 1 N N S N N N -25.035 21.545 -35.051 -15.973 3.050  0.653  CAL BJT 59  
BJT OAA O32 O 0 1 N N N N N N -25.449 22.724 -35.746 -16.301 2.494  1.928  OAA BJT 60  
BJT CAK C25 C 0 1 N N S N N N -25.915 21.349 -33.817 -16.210 4.561  0.680  CAK BJT 61  
BJT OBP O33 O 0 1 N N N N N N -25.479 20.191 -33.100 -15.882 5.117  -0.595 OBP BJT 62  
BJT CAJ C26 C 0 1 N N N N N N -25.816 22.577 -32.910 -17.680 4.842  0.996  CAJ BJT 63  
BJT OAI O34 O 0 1 N N N N N N -26.738 23.574 -33.359 -17.877 6.251  1.136  OAI BJT 64  
BJT H1  H1  H 0 1 N N N N N N -20.937 17.720 -33.727 2.472   2.597  -1.683 H1  BJT 65  
BJT H2  H2  H 0 1 N N N N N N -17.954 18.289 -33.405 1.571   -0.090 -0.548 H2  BJT 66  
BJT H3  H3  H 0 1 N N N N N N -18.948 20.054 -32.251 1.751   2.671  0.738  H3  BJT 67  
BJT H4  H4  H 0 1 N N N N N N -18.909 20.696 -33.928 0.242   1.919  0.167  H4  BJT 68  
BJT H5  H5  H 0 1 N N N N N N -18.493 15.927 -33.380 2.441   -0.188 -2.937 H5  BJT 69  
BJT H6  H6  H 0 1 N N N N N N -14.191 17.333 -23.575 17.151  5.688  0.847  H6  BJT 70  
BJT H7  H7  H 0 1 N N N N N N -14.713 20.708 -24.707 16.292  3.454  2.906  H7  BJT 71  
BJT H8  H8  H 0 1 N N N N N N -16.640 19.535 -27.151 14.458  1.635  -0.423 H8  BJT 72  
BJT H9  H9  H 0 1 N N N N N N -17.438 18.447 -25.966 14.398  1.450  1.346  H9  BJT 73  
BJT H10 H10 H 0 1 N N N N N N -17.299 16.576 -27.579 12.132  2.535  1.334  H10 BJT 74  
BJT H11 H11 H 0 1 N N N N N N -19.105 18.060 -27.643 12.407  2.341  -1.550 H11 BJT 75  
BJT H12 H12 H 0 1 N N N N N N -15.247 17.952 -28.765 12.431  0.097  -0.478 H12 BJT 76  
BJT H13 H13 H 0 1 N N N N N N -15.860 15.708 -29.006 12.156  0.291  2.406  H13 BJT 77  
BJT H14 H14 H 0 1 N N N N N N -17.782 18.424 -30.395 10.105  1.078  1.239  H14 BJT 78  
BJT H15 H15 H 0 1 N N N N N N -16.991 20.077 -28.950 10.380  0.884  -1.645 H15 BJT 79  
BJT H16 H16 H 0 1 N N N N N N -16.652 18.170 -32.319 10.330  -1.334 -0.616 H16 BJT 80  
BJT H17 H17 H 0 1 N N N N N N -15.275 17.503 -31.378 10.415  -1.414 1.160  H17 BJT 81  
BJT H18 H18 H 0 1 N N N N N N -13.532 21.464 -33.740 7.822   -2.636 2.510  H18 BJT 82  
BJT H19 H19 H 0 1 N N N N N N -14.815 19.234 -36.244 5.258   -3.407 -0.743 H19 BJT 83  
BJT H20 H20 H 0 1 N N N N N N -16.471 19.520 -35.610 5.177   -3.555 1.028  H20 BJT 84  
BJT H21 H21 H 0 1 N N N N N N -15.171 16.772 -35.876 3.650   -1.560 1.077  H21 BJT 85  
BJT H22 H22 H 0 1 N N N N N N -18.473 17.350 -36.840 5.199   -0.141 -0.396 H22 BJT 86  
BJT H23 H23 H 0 1 N N N N N N -21.000 20.913 -32.933 0.634   1.479  2.482  H23 BJT 87  
BJT H24 H24 H 0 1 N N N N N N -20.282 18.357 -31.575 0.643   2.144  -3.152 H24 BJT 88  
BJT H25 H25 H 0 1 N N N N N N -20.490 15.133 -32.461 3.496   1.028  -4.702 H25 BJT 89  
BJT H26 H26 H 0 1 N N N N N N -20.405 16.379 -35.722 4.776   1.595  -2.098 H26 BJT 90  
BJT H27 H27 H 0 1 N N N N N N -19.466 14.246 -35.526 5.987   -0.352 -2.773 H27 BJT 91  
BJT H28 H28 H 0 1 N N N N N N -17.075 16.684 -37.771 2.798   -3.905 -0.679 H28 BJT 92  
BJT H29 H29 H 0 1 N N N N N N -17.577 18.962 -37.504 2.583   -3.468 2.183  H29 BJT 93  
BJT H30 H30 H 0 1 N N N N N N -14.464 18.057 -38.470 1.182   -1.817 0.849  H30 BJT 94  
BJT H31 H31 H 0 1 N N N N N N -14.049 16.529 -36.747 1.261   -2.520 -1.967 H31 BJT 95  
BJT H32 H32 H 0 1 N N N N N N -16.246 15.852 -39.564 0.229   -4.300 -0.646 H32 BJT 96  
BJT H33 H33 H 0 1 N N N N N N -14.526 15.980 -40.066 0.314   -4.159 1.126  H33 BJT 97  
BJT H34 H34 H 0 1 N N N N N N -16.164 15.162 -42.640 -2.513  -3.856 2.523  H34 BJT 98  
BJT H35 H35 H 0 1 N N N N N N -17.017 19.436 -43.200 -5.231  -3.822 -0.697 H35 BJT 99  
BJT H36 H36 H 0 1 N N N N N N -18.723 18.988 -43.540 -5.324  -3.665 1.073  H36 BJT 100 
BJT H37 H37 H 0 1 N N N N N N -17.811 20.180 -40.879 -5.766  -1.209 0.784  H37 BJT 101 
BJT H38 H38 H 0 1 N N N N N N -18.666 22.151 -41.810 -5.914  -1.892 -2.034 H38 BJT 102 
BJT H39 H39 H 0 1 N N N N N N -20.458 19.596 -42.254 -7.663  -3.071 -0.716 H39 BJT 103 
BJT H40 H40 H 0 1 N N N N N N -20.812 18.732 -40.110 -7.516  -2.388 2.102  H40 BJT 104 
BJT H41 H41 H 0 1 N N N N N N -19.741 21.760 -40.268 -8.135  -0.417 0.716  H41 BJT 105 
BJT H42 H42 H 0 1 N N N N N N -21.446 22.745 -41.528 -8.283  -1.100 -2.102 H42 BJT 106 
BJT H43 H43 H 0 1 N N N N N N -22.159 19.925 -40.246 -10.056 -2.209 -0.835 H43 BJT 107 
BJT H44 H44 H 0 1 N N N N N N -21.190 20.550 -38.869 -9.979  -2.109 0.940  H44 BJT 108 
BJT H45 H45 H 0 1 N N N N N N -22.177 23.864 -37.243 -12.599 -0.793 -2.087 H45 BJT 109 
BJT H46 H46 H 0 1 N N N N N N -25.520 21.463 -37.736 -14.828 0.817  -0.513 H46 BJT 110 
BJT H47 H47 H 0 1 N N N N N N -25.093 19.744 -38.032 -14.600 0.821  1.252  H47 BJT 111 
BJT H48 H48 H 0 1 N N N N N N -26.185 19.906 -35.854 -13.874 3.222  1.103  H48 BJT 112 
BJT H49 H49 H 0 1 N N N N N N -24.376 19.128 -34.584 -14.698 2.967  -1.669 H49 BJT 113 
BJT H50 H50 H 0 1 N N N N N N -23.988 21.642 -34.729 -16.603 2.597  -0.113 H50 BJT 114 
BJT H51 H51 H 0 1 N N N N N N -25.360 23.477 -35.174 -15.779 2.852  2.659  H51 BJT 115 
BJT H52 H52 H 0 1 N N N N N N -26.960 21.227 -34.139 -15.580 5.014  1.446  H52 BJT 116 
BJT H53 H53 H 0 1 N N N N N N -26.026 20.069 -32.333 -16.404 4.760  -1.326 H53 BJT 117 
BJT H54 H54 H 0 1 N N N N N N -26.060 22.291 -31.876 -18.304 4.467  0.185  H54 BJT 118 
BJT H55 H55 H 0 1 N N N N N N -24.793 22.980 -32.947 -17.954 4.343  1.925  H55 BJT 119 
BJT H56 H56 H 0 1 N N N N N N -26.678 24.338 -32.797 -18.788 6.503  1.337  H56 BJT 120 
# 
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 
BJT OAD PAX DOUB N N 1   
BJT CAV OAW SING N N 2   
BJT CAV CAU SING N N 3   
BJT OBT CAU SING N N 4   
BJT OAW PAX SING N N 5   
BJT PAX OBU SING N N 6   
BJT PAX OAY SING N N 7   
BJT OBS CAS SING N N 8   
BJT CAU CAT SING N N 9   
BJT CAT CAS SING N N 10  
BJT CAT OAC SING N N 11  
BJT CAS CAR SING N N 12  
BJT OAY CAZ SING N N 13  
BJT CAR OAQ SING N N 14  
BJT OAQ PAP SING N N 15  
BJT CAZ CBA SING N N 16  
BJT OBR PAP DOUB N N 17  
BJT CBA OBV SING N N 18  
BJT CBA CBB SING N N 19  
BJT PAP OAO SING N N 20  
BJT PAP OAB SING N N 21  
BJT OAE CBB SING N N 22  
BJT CBB CBC SING N N 23  
BJT OAO CAN SING N N 24  
BJT CAN CAM SING N N 25  
BJT CBC CBD SING N N 26  
BJT CBC O1  SING N N 27  
BJT CAM OBQ SING N N 28  
BJT CAM CAL SING N N 29  
BJT O2  C2  SING N N 30  
BJT OAA CAL SING N N 31  
BJT C1  C2  SING N N 32  
BJT C1  O1  SING N N 33  
BJT C1  O5  SING N N 34  
BJT CBD OBE SING N N 35  
BJT C2  C3  SING N N 36  
BJT O5  C5  SING N N 37  
BJT CAL CAK SING N N 38  
BJT OBE PBF SING N N 39  
BJT CAK OBP SING N N 40  
BJT CAK CAJ SING N N 41  
BJT C3  O3  SING N N 42  
BJT C3  C4  SING N N 43  
BJT C5  C4  SING N N 44  
BJT C5  C6  SING N N 45  
BJT OAF PBF DOUB N N 46  
BJT OBX PBF SING N N 47  
BJT OAI CAJ SING N N 48  
BJT PBF OBG SING N N 49  
BJT C4  O4  SING N N 50  
BJT C6  O6  SING N N 51  
BJT OBG CBH SING N N 52  
BJT CBH CBI SING N N 53  
BJT CBI OBY SING N N 54  
BJT CBI CBJ SING N N 55  
BJT OAG CBJ SING N N 56  
BJT CBJ CBK SING N N 57  
BJT OBZ CBK SING N N 58  
BJT CBK CBL SING N N 59  
BJT CBL OBM SING N N 60  
BJT OBM PBN SING N N 61  
BJT OCA PBN DOUB N N 62  
BJT PBN OAH SING N N 63  
BJT PBN OBO SING N N 64  
BJT C4  H1  SING N N 65  
BJT C5  H2  SING N N 66  
BJT C6  H3  SING N N 67  
BJT C6  H4  SING N N 68  
BJT C3  H5  SING N N 69  
BJT OBO H6  SING N N 70  
BJT OAH H7  SING N N 71  
BJT CBL H8  SING N N 72  
BJT CBL H9  SING N N 73  
BJT CBK H10 SING N N 74  
BJT OBZ H11 SING N N 75  
BJT CBJ H12 SING N N 76  
BJT OAG H13 SING N N 77  
BJT CBI H14 SING N N 78  
BJT OBY H15 SING N N 79  
BJT CBH H16 SING N N 80  
BJT CBH H17 SING N N 81  
BJT OBX H18 SING N N 82  
BJT CBD H19 SING N N 83  
BJT CBD H20 SING N N 84  
BJT CBC H21 SING N N 85  
BJT C1  H22 SING N N 86  
BJT O6  H23 SING N N 87  
BJT O4  H24 SING N N 88  
BJT O3  H25 SING N N 89  
BJT C2  H26 SING N N 90  
BJT O2  H27 SING N N 91  
BJT CBB H28 SING N N 92  
BJT OAE H29 SING N N 93  
BJT CBA H30 SING N N 94  
BJT OBV H31 SING N N 95  
BJT CAZ H32 SING N N 96  
BJT CAZ H33 SING N N 97  
BJT OBU H34 SING N N 98  
BJT CAV H35 SING N N 99  
BJT CAV H36 SING N N 100 
BJT CAU H37 SING N N 101 
BJT OBT H38 SING N N 102 
BJT CAT H39 SING N N 103 
BJT OAC H40 SING N N 104 
BJT CAS H41 SING N N 105 
BJT OBS H42 SING N N 106 
BJT CAR H43 SING N N 107 
BJT CAR H44 SING N N 108 
BJT OAB H45 SING N N 109 
BJT CAN H46 SING N N 110 
BJT CAN H47 SING N N 111 
BJT CAM H48 SING N N 112 
BJT OBQ H49 SING N N 113 
BJT CAL H50 SING N N 114 
BJT OAA H51 SING N N 115 
BJT CAK H52 SING N N 116 
BJT OBP H53 SING N N 117 
BJT CAJ H54 SING N N 118 
BJT CAJ H55 SING N N 119 
BJT OAI H56 SING N N 120 
# 
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 
BJT InChI            InChI                1.06  "InChI=1S/C26H56O34P4/c27-1-10(29)19(36)12(31)4-53-62(46,47)54-5-14(33)21(38)15(34)6-55-63(48,49)57-8-16(35)22(39)18(60-26-25(42)24(41)23(40)17(2-28)59-26)9-58-64(50,51)56-7-13(32)20(37)11(30)3-52-61(43,44)45/h10-42H,1-9H2,(H,46,47)(H,48,49)(H,50,51)(H2,43,44,45)/t10-,11+,12+,13-,14-,15+,16-,17-,18+,19-,20+,21-,22-,23-,24+,25-,26-/m0/s1" 
BJT InChIKey         InChI                1.06  DYIPZANUDJDCKR-AXBQPTFUSA-N                                                                                                                                                                                                                                                                                                                         
BJT SMILES_CANONICAL CACTVS               3.385 "OC[C@H](O)[C@H](O)[C@H](O)CO[P](O)(=O)OC[C@H](O)[C@H](O)[C@H](O)CO[P](O)(=O)OC[C@H](O)[C@H](O)[C@@H](CO[P](O)(=O)OC[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O"                                                                                                                                             
BJT SMILES           CACTVS               3.385 "OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O"                                                                                                                                                                   
BJT SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H](COP(=O)(O)OC[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)[C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O)O)O)O)O)O)O)O)O"                                                                                                                                                
BJT SMILES           "OpenEye OEToolkits" 2.0.7 "C(C1C(C(C(C(O1)OC(COP(=O)(O)OCC(C(C(COP(=O)(O)O)O)O)O)C(C(COP(=O)(O)OCC(C(C(COP(=O)(O)OCC(C(C(CO)O)O)O)O)O)O)O)O)O)O)O)O"                                                                                                                                                                                                                          
# 
_pdbx_chem_comp_identifier.comp_id           BJT 
_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~{S})-2-[(2~{S},3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentoxy]phosphoryl]oxy-pentyl] [(2~{S},3~{R},4~{R})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl] hydrogen 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 
BJT "Create component"  2021-12-08 PDBE 
BJT "Modify descriptor" 2022-08-22 RCSB 
BJT "Initial release"   2023-12-06 RCSB 
# 
