data_A1LZV
# 
_chem_comp.id                                    A1LZV 
_chem_comp.name                                  "Cdp-DG(16:0/16:0)" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C44 H81 N3 O15 P2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         
;1,2-dihexadecanoyl-sn-glycero-3-cytidine-5'-diphosphate; [(2~{R})-3-[[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate
;
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-03-29 
_chem_comp.pdbx_modified_date                    2024-11-27 
_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                        954.073 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1LZV 
_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        8YR6 
_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 
A1LZV OCL   O1  O 0 1 N N N N N N 25.007 8.642  46.538 0.562   0.604  4.724  OCL   A1LZV 1   
A1LZV CBE   C1  C 0 1 N N N N N N 25.742 7.966  45.860 0.307   0.213  3.609  CBE   A1LZV 2   
A1LZV CBF   C2  C 0 1 N N N N N N 25.335 7.210  44.621 1.305   0.405  2.497  CBF   A1LZV 3   
A1LZV CBG   C3  C 0 1 N N N N N N 23.863 6.927  44.531 2.543   1.121  3.040  CBG   A1LZV 4   
A1LZV CBH   C4  C 0 1 N N N N N N 23.470 6.307  43.197 3.557   1.316  1.911  CBH   A1LZV 5   
A1LZV CBI   C5  C 0 1 N N N N N N 22.023 5.874  43.106 4.795   2.032  2.454  CBI   A1LZV 6   
A1LZV CBJ   C6  C 0 1 N N N N N N 21.645 5.218  41.796 5.808   2.227  1.325  CBJ   A1LZV 7   
A1LZV CBK   C7  C 0 1 N N N N N N 20.155 5.186  41.524 7.046   2.943  1.869  CBK   A1LZV 8   
A1LZV CBL   C8  C 0 1 N N N N N N 19.749 4.359  40.324 8.060   3.137  0.739  CBL   A1LZV 9   
A1LZV CBM   C9  C 0 1 N N N N N N 19.934 2.862  40.495 9.298   3.853  1.283  CBM   A1LZV 10  
A1LZV CBN   C10 C 0 1 N N N N N N 18.828 1.865  40.781 10.311  4.048  0.153  CBN   A1LZV 11  
A1LZV CBO   C11 C 0 1 N N N N N N 18.944 0.372  40.515 11.550  4.764  0.697  CBO   A1LZV 12  
A1LZV CBP   C12 C 0 1 N N N N N N 18.283 -0.523 41.552 12.563  4.959  -0.433 CBP   A1LZV 13  
A1LZV CBQ   C13 C 0 1 N N N N N N 16.959 -1.121 41.120 13.801  5.674  0.111  CBQ   A1LZV 14  
A1LZV CBR   C14 C 0 1 N N N N N N 16.254 -1.930 42.193 14.815  5.869  -1.018 CBR   A1LZV 15  
A1LZV CBS   C15 C 0 1 N N N N N N 14.954 -1.328 42.693 16.053  6.585  -0.475 CBS   A1LZV 16  
A1LZV CBT   C16 C 0 1 N N N N N N 14.332 -2.056 43.869 17.066  6.780  -1.604 CBT   A1LZV 17  
A1LZV OBD   O2  O 0 1 N N N N N N 27.037 7.796  46.121 -0.863  -0.397 3.363  OBD   A1LZV 18  
A1LZV CBC   C17 C 0 1 N N N N N N 27.580 8.449  47.292 -1.774  -0.552 4.484  CBC   A1LZV 19  
A1LZV CBA   C18 C 0 1 N N R N N N 27.275 7.601  48.508 -3.044  -1.264 4.013  CBA   A1LZV 20  
A1LZV CAZ   C19 C 0 1 N N N N N N 27.916 8.101  49.779 -2.669  -2.587 3.343  CAZ   A1LZV 21  
A1LZV OAY   O3  O 0 1 N N N N N N 27.572 9.492  50.024 -1.732  -2.341 2.293  OAY   A1LZV 22  
A1LZV PAV   P1  P 0 1 N N N N N N 27.866 10.134 51.470 -1.119  -3.511 1.372  PAV   A1LZV 23  
A1LZV OAW   O4  O 0 1 N N N N N N 28.929 9.342  52.167 -0.219  -4.491 2.279  OAW   A1LZV 24  
A1LZV OAX   O5  O 0 1 N N N N N N 28.056 11.604 51.301 -2.221  -4.282 0.756  OAX   A1LZV 25  
A1LZV OAU   O6  O 0 1 N N N N N N 26.444 9.907  52.184 -0.206  -2.861 0.216  OAU   A1LZV 26  
A1LZV PAR   P2  P 0 1 N N N N N N 25.427 8.676  52.351 0.334   -3.382 -1.208 PAR   A1LZV 27  
A1LZV OAS   O7  O 0 1 N N N N N N 24.315 9.102  53.255 -0.834  -3.244 -2.308 OAS   A1LZV 28  
A1LZV OAT   O8  O 0 1 N N N N N N 26.232 7.471  52.718 0.738   -4.802 -1.093 OAT   A1LZV 29  
A1LZV "O5'" O9  O 0 1 N N N N N N 24.846 8.504  50.863 1.602   -2.498 -1.658 "O5'" A1LZV 30  
A1LZV "C5'" C20 C 0 1 N N N N N N 23.841 7.482  50.609 2.371   -2.780 -2.829 "C5'" A1LZV 31  
A1LZV "C4'" C21 C 0 1 N N R N N N 22.925 7.944  49.500 3.496   -1.751 -2.960 "C4'" A1LZV 32  
A1LZV "C3'" C22 C 0 1 N N S N N N 21.913 9.037  49.884 4.264   -1.959 -4.284 "C3'" A1LZV 33  
A1LZV "O3'" O10 O 0 1 N N N N N N 21.628 9.887  48.779 3.802   -1.044 -5.280 "O3'" A1LZV 34  
A1LZV "C2'" C23 C 0 1 N N R N N N 20.701 8.198  50.304 5.735   -1.663 -3.916 "C2'" A1LZV 35  
A1LZV "O2'" O11 O 0 1 N N N N N N 19.469 8.889  50.265 6.227   -0.557 -4.676 "O2'" A1LZV 36  
A1LZV "O4'" O12 O 0 1 N N N N N N 22.117 6.828  49.031 4.484   -1.953 -1.926 "O4'" A1LZV 37  
A1LZV "C1'" C24 C 0 1 N N R N N N 20.750 7.138  49.201 5.682   -1.310 -2.413 "C1'" A1LZV 38  
A1LZV NAH   N1  N 0 1 N N N N N N 19.996 5.898  49.529 6.861   -1.839 -1.724 NAH   A1LZV 39  
A1LZV CAG   C25 C 0 1 N N N N N N 20.290 5.155  50.636 7.730   -0.985 -1.113 CAG   A1LZV 40  
A1LZV CAF   C26 C 0 1 N N N N N N 19.607 4.034  50.923 8.816   -1.486 -0.479 CAF   A1LZV 41  
A1LZV CAD   C27 C 0 1 N N N N N N 18.566 3.642  50.032 9.017   -2.882 -0.469 CAD   A1LZV 42  
A1LZV NAE   N2  N 0 1 N N N N N N 17.854 2.545  50.249 10.112  -3.418 0.168  NAE   A1LZV 43  
A1LZV NAC   N3  N 0 1 N N N N N N 18.273 4.370  48.945 8.145   -3.675 -1.077 NAC   A1LZV 44  
A1LZV CAB   C28 C 0 1 N N N N N N 18.967 5.502  48.666 7.078   -3.167 -1.691 CAB   A1LZV 45  
A1LZV OAA   O13 O 0 1 N N N N N N 18.714 6.197  47.669 6.290   -3.917 -2.243 OAA   A1LZV 46  
A1LZV OBB   O14 O 0 1 N N N N N N 27.775 6.252  48.282 -3.747  -0.422 3.062  OBB   A1LZV 47  
A1LZV CBU   C29 C 0 1 N N N N N N 26.908 5.233  48.349 -5.083  -0.541 3.013  CBU   A1LZV 48  
A1LZV OCK   O15 O 0 1 N N N N N N 25.752 5.405  48.620 -5.647  -1.323 3.741  OCK   A1LZV 49  
A1LZV CBV   C30 C 0 1 N N N N N N 27.521 3.897  48.027 -5.879  0.301  2.049  CBV   A1LZV 50  
A1LZV CBW   C31 C 0 1 N N N N N N 26.575 2.957  47.335 -7.367  -0.027 2.195  CBW   A1LZV 51  
A1LZV CBX   C32 C 0 1 N N N N N N 26.208 3.416  45.933 -8.175  0.827  1.217  CBX   A1LZV 52  
A1LZV CBY   C33 C 0 1 N N N N N N 25.036 2.686  45.313 -9.663  0.499  1.362  CBY   A1LZV 53  
A1LZV CBZ   C34 C 0 1 N N N N N N 25.294 2.161  43.913 -10.472 1.354  0.384  CBZ   A1LZV 54  
A1LZV CCA   C35 C 0 1 N N N N N N 24.120 2.276  42.964 -11.959 1.025  0.530  CCA   A1LZV 55  
A1LZV CCB   C36 C 0 1 N N N N N N 22.913 1.458  43.343 -12.768 1.880  -0.448 CCB   A1LZV 56  
A1LZV CCC   C37 C 0 1 N N N N N N 23.152 -0.031 43.390 -14.255 1.552  -0.303 CCC   A1LZV 57  
A1LZV CCD   C38 C 0 1 N N N N N N 23.255 -0.939 42.191 -15.064 2.406  -1.281 CCD   A1LZV 58  
A1LZV CCE   C39 C 0 1 N N N N N N 22.083 -1.587 41.495 -16.551 2.078  -1.135 CCE   A1LZV 59  
A1LZV CCF   C40 C 0 1 N N N N N N 21.989 -3.080 41.695 -17.360 2.933  -2.113 CCF   A1LZV 60  
A1LZV CCG   C41 C 0 1 N N N N N N 21.322 -3.500 42.985 -18.847 2.605  -1.967 CCG   A1LZV 61  
A1LZV CCH   C42 C 0 1 N N N N N N 22.227 -4.226 43.953 -19.656 3.459  -2.945 CCH   A1LZV 62  
A1LZV CCI   C43 C 0 1 N N N N N N 22.529 -5.655 43.573 -21.143 3.131  -2.800 CCI   A1LZV 63  
A1LZV CCJ   C44 C 0 1 N N N N N N 23.648 -6.283 44.368 -21.952 3.986  -3.778 CCJ   A1LZV 64  
A1LZV H1    H1  H 0 1 N N N N N N 25.873 6.250  44.610 1.594   -0.566 2.096  H1    A1LZV 65  
A1LZV H2    H2  H 0 1 N N N N N N 25.627 7.804  43.742 0.856   1.006  1.705  H2    A1LZV 66  
A1LZV H3    H3  H 0 1 N N N N N N 23.314 7.872  44.657 2.254   2.093  3.441  H3    A1LZV 67  
A1LZV H4    H4  H 0 1 N N N N N N 23.587 6.232  45.338 2.992   0.521  3.832  H4    A1LZV 68  
A1LZV H5    H5  H 0 1 N N N N N N 24.104 5.424  43.029 3.845   0.344  1.510  H5    A1LZV 69  
A1LZV H6    H6  H 0 1 N N N N N N 23.657 7.048  42.406 3.108   1.916  1.120  H6    A1LZV 70  
A1LZV H7    H7  H 0 1 N N N N N N 21.389 6.763  43.240 4.506   3.003  2.855  H7    A1LZV 71  
A1LZV H8    H8  H 0 1 N N N N N N 21.827 5.158  43.918 5.244   1.431  3.246  H8    A1LZV 72  
A1LZV H9    H9  H 0 1 N N N N N N 22.015 4.182  41.809 6.097   1.255  0.924  H9    A1LZV 73  
A1LZV H10   H10 H 0 1 N N N N N N 22.133 5.771  40.980 5.359   2.827  0.534  H10   A1LZV 74  
A1LZV H11   H11 H 0 1 N N N N N N 19.815 6.219  41.359 6.758   3.914  2.269  H11   A1LZV 75  
A1LZV H12   H12 H 0 1 N N N N N N 19.654 4.772  42.411 7.495   2.342  2.660  H12   A1LZV 76  
A1LZV H13   H13 H 0 1 N N N N N N 20.353 4.683  39.464 8.349   2.165  0.338  H13   A1LZV 77  
A1LZV H14   H14 H 0 1 N N N N N N 18.686 4.552  40.119 7.611   3.738  -0.052 H14   A1LZV 78  
A1LZV H15   H15 H 0 1 N N N N N N 20.401 2.518  39.560 9.009   4.825  1.683  H15   A1LZV 79  
A1LZV H16   H16 H 0 1 N N N N N N 20.648 2.750  41.324 9.747   3.253  2.074  H16   A1LZV 80  
A1LZV H17   H17 H 0 1 N N N N N N 18.609 1.961  41.855 10.600  3.076  -0.247 H17   A1LZV 81  
A1LZV H18   H18 H 0 1 N N N N N N 17.960 2.206  40.198 9.863   4.648  -0.638 H18   A1LZV 82  
A1LZV H19   H19 H 0 1 N N N N N N 18.480 0.163  39.540 11.261  5.735  1.097  H19   A1LZV 83  
A1LZV H20   H20 H 0 1 N N N N N N 20.013 0.115  40.475 11.998  4.163  1.488  H20   A1LZV 84  
A1LZV H21   H21 H 0 1 N N N N N N 18.973 -1.348 41.782 12.852  3.987  -0.833 H21   A1LZV 85  
A1LZV H22   H22 H 0 1 N N N N N N 18.110 0.074  42.459 12.114  5.559  -1.224 H22   A1LZV 86  
A1LZV H23   H23 H 0 1 N N N N N N 16.294 -0.299 40.816 13.512  6.646  0.512  H23   A1LZV 87  
A1LZV H24   H24 H 0 1 N N N N N N 17.144 -1.780 40.259 14.250  5.074  0.902  H24   A1LZV 88  
A1LZV H25   H25 H 0 1 N N N N N N 16.034 -2.926 41.781 15.104  4.898  -1.419 H25   A1LZV 89  
A1LZV H26   H26 H 0 1 N N N N N N 16.937 -2.030 43.050 14.366  6.470  -1.810 H26   A1LZV 90  
A1LZV H27   H27 H 0 1 N N N N N N 15.152 -0.290 42.998 15.764  7.557  -0.074 H27   A1LZV 91  
A1LZV H28   H28 H 0 1 N N N N N N 14.231 -1.335 41.864 16.502  5.985  0.317  H28   A1LZV 92  
A1LZV H29   H29 H 0 1 N N N N N N 13.399 -1.552 44.161 16.618  7.380  -2.396 H29   A1LZV 93  
A1LZV H30   H30 H 0 1 N N N N N N 14.113 -3.095 43.582 17.948  7.290  -1.217 H30   A1LZV 94  
A1LZV H31   H31 H 0 1 N N N N N N 15.033 -2.050 44.717 17.355  5.808  -2.005 H31   A1LZV 95  
A1LZV H32   H32 H 0 1 N N N N N N 28.669 8.560  47.182 -1.293  -1.144 5.263  H32   A1LZV 96  
A1LZV H33   H33 H 0 1 N N N N N N 27.120 9.442  47.409 -2.033  0.429  4.880  H33   A1LZV 97  
A1LZV H34   H34 H 0 1 N N N N N N 26.185 7.569  48.651 -3.689  -1.460 4.870  H34   A1LZV 98  
A1LZV H35   H35 H 0 1 N N N N N N 27.565 7.490  50.623 -2.221  -3.254 4.081  H35   A1LZV 99  
A1LZV H36   H36 H 0 1 N N N N N N 29.009 8.011  49.690 -3.564  -3.052 2.930  H36   A1LZV 100 
A1LZV H37   H37 H 0 1 N N N N N N 29.635 9.921  52.429 0.524   -4.052 2.715  H37   A1LZV 101 
A1LZV H38   H38 H 0 1 N N N N N N 24.263 8.509  53.995 -1.148  -2.338 -2.436 H38   A1LZV 102 
A1LZV H39   H39 H 0 1 N N N N N N 23.253 7.310  51.523 2.799   -3.779 -2.751 H39   A1LZV 103 
A1LZV H40   H40 H 0 1 N N N N N N 24.336 6.546  50.310 1.727   -2.728 -3.707 H40   A1LZV 104 
A1LZV H41   H41 H 0 1 N N N N N N 23.541 8.321  48.671 3.093   -0.740 -2.910 H41   A1LZV 105 
A1LZV H42   H42 H 0 1 N N N N N N 22.290 9.608  50.745 4.156   -2.988 -4.630 H42   A1LZV 106 
A1LZV H43   H43 H 0 1 N N N N N N 21.002 10.551 49.043 4.250   -1.131 -6.132 H43   A1LZV 107 
A1LZV H44   H44 H 0 1 N N N N N N 20.882 7.734  51.285 6.355   -2.544 -4.081 H44   A1LZV 108 
A1LZV H45   H45 H 0 1 N N N N N N 19.451 9.543  50.953 6.226   -0.704 -5.631 H45   A1LZV 109 
A1LZV H46   H46 H 0 1 N N N N N N 20.342 7.574  48.277 5.616   -0.231 -2.277 H46   A1LZV 110 
A1LZV H47   H47 H 0 1 N N N N N N 21.086 5.474  51.293 7.554   0.080  -1.135 H47   A1LZV 111 
A1LZV H48   H48 H 0 1 N N N N N N 19.839 3.449  51.801 9.517   -0.827 0.011  H48   A1LZV 112 
A1LZV H49   H49 H 0 1 N N N N N N 17.128 2.286  49.612 10.748  -2.836 0.612  H49   A1LZV 113 
A1LZV H50   H50 H 0 1 N N N N N N 18.043 1.976  51.049 10.248  -4.378 0.174  H50   A1LZV 114 
A1LZV H51   H51 H 0 1 N N N N N N 27.852 3.430  48.966 -5.717  1.356  2.269  H51   A1LZV 115 
A1LZV H52   H52 H 0 1 N N N N N N 28.390 4.061  47.373 -5.558  0.088  1.029  H52   A1LZV 116 
A1LZV H53   H53 H 0 1 N N N N N N 25.654 2.882  47.932 -7.529  -1.083 1.975  H53   A1LZV 117 
A1LZV H54   H54 H 0 1 N N N N N N 27.050 1.967  47.268 -7.688  0.185  3.214  H54   A1LZV 118 
A1LZV H55   H55 H 0 1 N N N N N N 27.084 3.269  45.285 -8.013  1.882  1.436  H55   A1LZV 119 
A1LZV H56   H56 H 0 1 N N N N N N 25.960 4.487  45.977 -7.854  0.614  0.197  H56   A1LZV 120 
A1LZV H57   H57 H 0 1 N N N N N N 24.183 3.379  45.269 -9.825  -0.556 1.143  H57   A1LZV 121 
A1LZV H58   H58 H 0 1 N N N N N N 24.782 1.833  45.959 -9.984  0.712  2.382  H58   A1LZV 122 
A1LZV H59   H59 H 0 1 N N N N N N 25.568 1.098  43.991 -10.309 2.409  0.604  H59   A1LZV 123 
A1LZV H60   H60 H 0 1 N N N N N N 26.136 2.726  43.486 -10.151 1.141  -0.635 H60   A1LZV 124 
A1LZV H61   H61 H 0 1 N N N N N N 24.454 1.951  41.967 -12.121 -0.030 0.310  H61   A1LZV 125 
A1LZV H62   H62 H 0 1 N N N N N N 23.817 3.333  42.922 -12.280 1.238  1.550  H62   A1LZV 126 
A1LZV H63   H63 H 0 1 N N N N N N 22.577 1.783  44.339 -12.605 2.935  -0.229 H63   A1LZV 127 
A1LZV H64   H64 H 0 1 N N N N N N 22.120 1.655  42.606 -12.447 1.667  -1.468 H64   A1LZV 128 
A1LZV H65   H65 H 0 1 N N N N N N 22.328 -0.439 43.994 -14.417 0.496  -0.522 H65   A1LZV 129 
A1LZV H66   H66 H 0 1 N N N N N N 24.101 -0.156 43.932 -14.576 1.765  0.717  H66   A1LZV 130 
A1LZV H67   H67 H 0 1 N N N N N N 23.905 -1.769 42.506 -14.901 3.462  -1.061 H67   A1LZV 131 
A1LZV H68   H68 H 0 1 N N N N N N 23.765 -0.347 41.417 -14.743 2.194  -2.300 H68   A1LZV 132 
A1LZV H69   H69 H 0 1 N N N N N N 22.170 -1.389 40.417 -16.714 1.023  -1.354 H69   A1LZV 133 
A1LZV H70   H70 H 0 1 N N N N N N 21.159 -1.129 41.878 -16.872 2.291  -0.115 H70   A1LZV 134 
A1LZV H71   H71 H 0 1 N N N N N N 21.414 -3.503 40.858 -17.198 3.988  -1.894 H71   A1LZV 135 
A1LZV H72   H72 H 0 1 N N N N N N 23.009 -3.493 41.686 -17.039 2.720  -3.133 H72   A1LZV 136 
A1LZV H73   H73 H 0 1 N N N N N N 20.940 -2.597 43.484 -19.010 1.549  -2.187 H73   A1LZV 137 
A1LZV H74   H74 H 0 1 N N N N N N 20.482 -4.165 42.736 -19.168 2.817  -0.948 H74   A1LZV 138 
A1LZV H75   H75 H 0 1 N N N N N N 23.179 -3.677 44.012 -19.494 4.514  -2.726 H75   A1LZV 139 
A1LZV H76   H76 H 0 1 N N N N N N 21.743 -4.228 44.941 -19.335 3.246  -3.965 H76   A1LZV 140 
A1LZV H77   H77 H 0 1 N N N N N N 21.619 -6.253 43.727 -21.306 2.076  -3.019 H77   A1LZV 141 
A1LZV H78   H78 H 0 1 N N N N N N 22.807 -5.678 42.509 -21.464 3.344  -1.780 H78   A1LZV 142 
A1LZV H79   H79 H 0 1 N N N N N N 23.802 -7.318 44.030 -21.632 3.773  -4.798 H79   A1LZV 143 
A1LZV H80   H80 H 0 1 N N N N N N 24.573 -5.707 44.218 -23.012 3.752  -3.674 H80   A1LZV 144 
A1LZV H81   H81 H 0 1 N N N N N N 23.384 -6.282 45.436 -21.790 5.041  -3.559 H81   A1LZV 145 
# 
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 
A1LZV CBL   CBM   SING N N 1   
A1LZV CBL   CBK   SING N N 2   
A1LZV CBM   CBN   SING N N 3   
A1LZV CBO   CBN   SING N N 4   
A1LZV CBO   CBP   SING N N 5   
A1LZV CBQ   CBP   SING N N 6   
A1LZV CBQ   CBR   SING N N 7   
A1LZV CCE   CCF   SING N N 8   
A1LZV CCE   CCD   SING N N 9   
A1LZV CBK   CBJ   SING N N 10  
A1LZV CCF   CCG   SING N N 11  
A1LZV CBJ   CBI   SING N N 12  
A1LZV CCD   CCC   SING N N 13  
A1LZV CBR   CBS   SING N N 14  
A1LZV CBS   CBT   SING N N 15  
A1LZV CCA   CCB   SING N N 16  
A1LZV CCA   CBZ   SING N N 17  
A1LZV CCG   CCH   SING N N 18  
A1LZV CBI   CBH   SING N N 19  
A1LZV CBH   CBG   SING N N 20  
A1LZV CCB   CCC   SING N N 21  
A1LZV CCI   CCH   SING N N 22  
A1LZV CCI   CCJ   SING N N 23  
A1LZV CBZ   CBY   SING N N 24  
A1LZV CBG   CBF   SING N N 25  
A1LZV CBF   CBE   SING N N 26  
A1LZV CBY   CBX   SING N N 27  
A1LZV CBE   OBD   SING N N 28  
A1LZV CBE   OCL   DOUB N N 29  
A1LZV CBX   CBW   SING N N 30  
A1LZV OBD   CBC   SING N N 31  
A1LZV CBC   CBA   SING N N 32  
A1LZV CBW   CBV   SING N N 33  
A1LZV OAA   CAB   DOUB N N 34  
A1LZV CBV   CBU   SING N N 35  
A1LZV OBB   CBU   SING N N 36  
A1LZV OBB   CBA   SING N N 37  
A1LZV CBU   OCK   DOUB N N 38  
A1LZV CBA   CAZ   SING N N 39  
A1LZV CAB   NAC   SING N N 40  
A1LZV CAB   NAH   SING N N 41  
A1LZV "O3'" "C3'" SING N N 42  
A1LZV NAC   CAD   DOUB N N 43  
A1LZV "O4'" "C1'" SING N N 44  
A1LZV "O4'" "C4'" SING N N 45  
A1LZV "C1'" NAH   SING N N 46  
A1LZV "C1'" "C2'" SING N N 47  
A1LZV "C4'" "C3'" SING N N 48  
A1LZV "C4'" "C5'" SING N N 49  
A1LZV NAH   CAG   SING N N 50  
A1LZV CAZ   OAY   SING N N 51  
A1LZV "C3'" "C2'" SING N N 52  
A1LZV OAY   PAV   SING N N 53  
A1LZV CAD   NAE   SING N N 54  
A1LZV CAD   CAF   SING N N 55  
A1LZV "O2'" "C2'" SING N N 56  
A1LZV "C5'" "O5'" SING N N 57  
A1LZV CAG   CAF   DOUB N N 58  
A1LZV "O5'" PAR   SING N N 59  
A1LZV OAX   PAV   DOUB N N 60  
A1LZV PAV   OAW   SING N N 61  
A1LZV PAV   OAU   SING N N 62  
A1LZV OAU   PAR   SING N N 63  
A1LZV PAR   OAT   DOUB N N 64  
A1LZV PAR   OAS   SING N N 65  
A1LZV CBF   H1    SING N N 66  
A1LZV CBF   H2    SING N N 67  
A1LZV CBG   H3    SING N N 68  
A1LZV CBG   H4    SING N N 69  
A1LZV CBH   H5    SING N N 70  
A1LZV CBH   H6    SING N N 71  
A1LZV CBI   H7    SING N N 72  
A1LZV CBI   H8    SING N N 73  
A1LZV CBJ   H9    SING N N 74  
A1LZV CBJ   H10   SING N N 75  
A1LZV CBK   H11   SING N N 76  
A1LZV CBK   H12   SING N N 77  
A1LZV CBL   H13   SING N N 78  
A1LZV CBL   H14   SING N N 79  
A1LZV CBM   H15   SING N N 80  
A1LZV CBM   H16   SING N N 81  
A1LZV CBN   H17   SING N N 82  
A1LZV CBN   H18   SING N N 83  
A1LZV CBO   H19   SING N N 84  
A1LZV CBO   H20   SING N N 85  
A1LZV CBP   H21   SING N N 86  
A1LZV CBP   H22   SING N N 87  
A1LZV CBQ   H23   SING N N 88  
A1LZV CBQ   H24   SING N N 89  
A1LZV CBR   H25   SING N N 90  
A1LZV CBR   H26   SING N N 91  
A1LZV CBS   H27   SING N N 92  
A1LZV CBS   H28   SING N N 93  
A1LZV CBT   H29   SING N N 94  
A1LZV CBT   H30   SING N N 95  
A1LZV CBT   H31   SING N N 96  
A1LZV CBC   H32   SING N N 97  
A1LZV CBC   H33   SING N N 98  
A1LZV CBA   H34   SING N N 99  
A1LZV CAZ   H35   SING N N 100 
A1LZV CAZ   H36   SING N N 101 
A1LZV OAW   H37   SING N N 102 
A1LZV OAS   H38   SING N N 103 
A1LZV "C5'" H39   SING N N 104 
A1LZV "C5'" H40   SING N N 105 
A1LZV "C4'" H41   SING N N 106 
A1LZV "C3'" H42   SING N N 107 
A1LZV "O3'" H43   SING N N 108 
A1LZV "C2'" H44   SING N N 109 
A1LZV "O2'" H45   SING N N 110 
A1LZV "C1'" H46   SING N N 111 
A1LZV CAG   H47   SING N N 112 
A1LZV CAF   H48   SING N N 113 
A1LZV NAE   H49   SING N N 114 
A1LZV NAE   H50   SING N N 115 
A1LZV CBV   H51   SING N N 116 
A1LZV CBV   H52   SING N N 117 
A1LZV CBW   H53   SING N N 118 
A1LZV CBW   H54   SING N N 119 
A1LZV CBX   H55   SING N N 120 
A1LZV CBX   H56   SING N N 121 
A1LZV CBY   H57   SING N N 122 
A1LZV CBY   H58   SING N N 123 
A1LZV CBZ   H59   SING N N 124 
A1LZV CBZ   H60   SING N N 125 
A1LZV CCA   H61   SING N N 126 
A1LZV CCA   H62   SING N N 127 
A1LZV CCB   H63   SING N N 128 
A1LZV CCB   H64   SING N N 129 
A1LZV CCC   H65   SING N N 130 
A1LZV CCC   H66   SING N N 131 
A1LZV CCD   H67   SING N N 132 
A1LZV CCD   H68   SING N N 133 
A1LZV CCE   H69   SING N N 134 
A1LZV CCE   H70   SING N N 135 
A1LZV CCF   H71   SING N N 136 
A1LZV CCF   H72   SING N N 137 
A1LZV CCG   H73   SING N N 138 
A1LZV CCG   H74   SING N N 139 
A1LZV CCH   H75   SING N N 140 
A1LZV CCH   H76   SING N N 141 
A1LZV CCI   H77   SING N N 142 
A1LZV CCI   H78   SING N N 143 
A1LZV CCJ   H79   SING N N 144 
A1LZV CCJ   H80   SING N N 145 
A1LZV CCJ   H81   SING N N 146 
# 
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 
A1LZV InChI            InChI                1.06  "InChI=1S/C44H81N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(48)57-33-36(60-40(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-58-63(53,54)62-64(55,56)59-35-37-41(50)42(51)43(61-37)47-32-31-38(45)46-44(47)52/h31-32,36-37,41-43,50-51H,3-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/t36-,37-,41-,42-,43-/m1/s1" 
A1LZV InChIKey         InChI                1.06  ITYHVANGBZMQML-BQUKFSKHSA-N                                                                                                                                                                                                                                                                                                    
A1LZV SMILES_CANONICAL CACTVS               3.385 "CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O[P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=NC2=O)N)OC(=O)CCCCCCCCCCCCCCC"                                                                                                                                                                                                     
A1LZV SMILES           CACTVS               3.385 "CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=NC2=O)N)OC(=O)CCCCCCCCCCCCCCC"                                                                                                                                                                                                           
A1LZV SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCCCCCCCCC"                                                                                                                                                                                                      
A1LZV SMILES           "OpenEye OEToolkits" 2.0.7 "CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCCCCCCCCCCCCCC"                                                                                                                                                                                                                            
# 
_pdbx_chem_comp_identifier.comp_id           A1LZV 
_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-[[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1LZV "Create component" 2024-03-29 PDBJ 
A1LZV "Initial release"  2024-11-20 RCSB 
A1LZV "Modify name"      2024-11-27 PDBJ 
A1LZV "Modify synonyms"  2024-11-27 PDBJ 
# 
loop_
_pdbx_chem_comp_synonyms.ordinal 
_pdbx_chem_comp_synonyms.comp_id 
_pdbx_chem_comp_synonyms.name 
_pdbx_chem_comp_synonyms.provenance 
_pdbx_chem_comp_synonyms.type 
1 A1LZV "1,2-dihexadecanoyl-sn-glycero-3-cytidine-5'-diphosphate"                                                                                                                                                          PUBCHEM ? 
2 A1LZV "[(2~{R})-3-[[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate" PDB     ? 
# 
