data_A1H2V
# 
_chem_comp.id                                    A1H2V 
_chem_comp.name                                  "[(2~{R})-3-[[(2~{R})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] octadecanoate" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C40 H79 O10 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         
;(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRA
N-3,4-DIOL; NEOMYCIN A; NEAMINE; (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl
2,6-diamino-2,6-dideoxy-alpha-D-glucoside; (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl
2,6-diamino-2,6-dideoxy-D-glucoside; (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl
2,6-diamino-2,6-dideoxy-glucoside
;
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-01-22 
_chem_comp.pdbx_modified_date                    2025-01-31 
_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                        751.023 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1H2V 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   Y 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        ? 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBE 
_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 
A1H2V C7  C1  C 0 1 N N N N N N ? ? ? 9.247   -1.151 -0.391 C7  A1H2V 1   
A1H2V C8  C2  C 0 1 N N N N N N ? ? ? 8.248   -0.596 -1.408 C8  A1H2V 2   
A1H2V C9  C3  C 0 1 N N N N N N ? ? ? 6.930   -0.269 -0.702 C9  A1H2V 3   
A1H2V C1  C4  C 0 1 N N N N N N ? ? ? 16.197  -3.797 0.544  C1  A1H2V 4   
A1H2V C5  C5  C 0 1 N N N N N N ? ? ? 11.564  -2.033 -0.079 C5  A1H2V 5   
A1H2V C6  C6  C 0 1 N N N N N N ? ? ? 10.565  -1.478 -1.097 C6  A1H2V 6   
A1H2V C4  C7  C 0 1 N N N N N N ? ? ? 12.881  -2.360 -0.785 C4  A1H2V 7   
A1H2V C3  C8  C 0 1 N N N N N N ? ? ? 13.880  -2.915 0.232  C3  A1H2V 8   
A1H2V C2  C9  C 0 1 N N N N N N ? ? ? 15.198  -3.242 -0.473 C2  A1H2V 9   
A1H2V C10 C10 C 0 1 N N N N N N ? ? ? 5.931   0.286  -1.719 C10 A1H2V 10  
A1H2V C11 C11 C 0 1 N N N N N N ? ? ? 4.614   0.613  -1.014 C11 A1H2V 11  
A1H2V C12 C12 C 0 1 N N N N N N ? ? ? 3.614   1.168  -2.031 C12 A1H2V 12  
A1H2V C13 C13 C 0 1 N N N N N N ? ? ? 2.297   1.495  -1.326 C13 A1H2V 13  
A1H2V C14 C14 C 0 1 N N N N N N ? ? ? 1.313   2.042  -2.327 C14 A1H2V 14  
A1H2V C17 C15 C 0 1 N N N N N N ? ? ? -0.814  2.918  -2.951 C17 A1H2V 15  
A1H2V C18 C16 C 0 1 N N R N N N ? ? ? -2.161  3.270  -2.316 C18 A1H2V 16  
A1H2V C19 C17 C 0 1 N N N N N N ? ? ? -1.939  4.235  -1.150 C19 A1H2V 17  
A1H2V C25 C18 C 0 1 N N N N N N ? ? ? 1.304   3.984  3.008  C25 A1H2V 18  
A1H2V C26 C19 C 0 1 N N R N N N ? ? ? 2.321   2.922  3.431  C26 A1H2V 19  
A1H2V C27 C20 C 0 1 N N N N N N ? ? ? 3.151   3.450  4.603  C27 A1H2V 20  
A1H2V C31 C21 C 0 1 N N N N N N ? ? ? -4.138  2.035  -1.818 C31 A1H2V 21  
A1H2V C33 C22 C 0 1 N N N N N N ? ? ? -4.867  0.812  -1.325 C33 A1H2V 22  
A1H2V C34 C23 C 0 1 N N N N N N ? ? ? -6.376  1.045  -1.420 C34 A1H2V 23  
A1H2V C35 C24 C 0 1 N N N N N N ? ? ? -7.117  -0.197 -0.919 C35 A1H2V 24  
A1H2V C36 C25 C 0 1 N N N N N N ? ? ? -8.626  0.036  -1.014 C36 A1H2V 25  
A1H2V C37 C26 C 0 1 N N N N N N ? ? ? -9.366  -1.206 -0.513 C37 A1H2V 26  
A1H2V C38 C27 C 0 1 N N N N N N ? ? ? -10.875 -0.973 -0.608 C38 A1H2V 27  
A1H2V C39 C28 C 0 1 N N N N N N ? ? ? -11.615 -2.214 -0.107 C39 A1H2V 28  
A1H2V C40 C29 C 0 1 N N N N N N ? ? ? -13.125 -1.982 -0.202 C40 A1H2V 29  
A1H2V C41 C30 C 0 1 N N N N N N ? ? ? -13.865 -3.223 0.299  C41 A1H2V 30  
A1H2V C42 C31 C 0 1 N N N N N N ? ? ? -15.374 -2.990 0.204  C42 A1H2V 31  
A1H2V C43 C32 C 0 1 N N N N N N ? ? ? -16.114 -4.232 0.705  C43 A1H2V 32  
A1H2V C44 C33 C 0 1 N N N N N N ? ? ? -17.623 -3.999 0.610  C44 A1H2V 33  
A1H2V C45 C34 C 0 1 N N N N N N ? ? ? -18.364 -5.241 1.111  C45 A1H2V 34  
A1H2V O15 O1  O 0 1 N N N N N N ? ? ? 1.632   2.158  -3.487 O15 A1H2V 35  
A1H2V O16 O2  O 0 1 N N N N N N ? ? ? 0.081   2.400  -1.932 O16 A1H2V 36  
A1H2V O20 O3  O 0 1 N N N N N N ? ? ? -1.007  3.664  -0.229 O20 A1H2V 37  
A1H2V O22 O4  O 0 1 N N N N N N ? ? ? -0.004  5.747  0.784  O22 A1H2V 38  
A1H2V O23 O5  O 0 1 N N N N N N ? ? ? -1.797  4.566  2.111  O23 A1H2V 39  
A1H2V O24 O6  O 0 1 N N N N N N ? ? ? 0.609   3.539  1.842  O24 A1H2V 40  
A1H2V O28 O7  O 0 1 N N N N N N ? ? ? 4.176   2.507  4.923  O28 A1H2V 41  
A1H2V O29 O8  O 0 1 N N N N N N ? ? ? 1.633   1.735  3.831  O29 A1H2V 42  
A1H2V O30 O9  O 0 1 N N N N N N ? ? ? -2.796  2.059  -1.827 O30 A1H2V 43  
A1H2V O32 O10 O 0 1 N N N N N N ? ? ? -4.761  2.995  -2.206 O32 A1H2V 44  
A1H2V P21 P1  P 0 1 N N N N N N ? ? ? -0.538  4.409  1.119  P21 A1H2V 45  
A1H2V H1  H1  H 0 1 N N N N N N ? ? ? 9.425   -0.408 0.386  H1  A1H2V 46  
A1H2V H2  H2  H 0 1 N N N N N N ? ? ? 8.842   -2.057 0.059  H2  A1H2V 47  
A1H2V H3  H3  H 0 1 N N N N N N ? ? ? 8.653   0.310  -1.858 H3  A1H2V 48  
A1H2V H4  H4  H 0 1 N N N N N N ? ? ? 8.069   -1.339 -2.185 H4  A1H2V 49  
A1H2V H5  H5  H 0 1 N N N N N N ? ? ? 6.525   -1.175 -0.252 H5  A1H2V 50  
A1H2V H6  H6  H 0 1 N N N N N N ? ? ? 7.109   0.474  0.075  H6  A1H2V 51  
A1H2V H7  H7  H 0 1 N N N N N N ? ? ? 16.376  -3.054 1.321  H7  A1H2V 52  
A1H2V H8  H8  H 0 1 N N N N N N ? ? ? 15.792  -4.703 0.994  H8  A1H2V 53  
A1H2V H10 H10 H 0 1 N N N N N N ? ? ? 11.742  -1.290 0.698  H10 A1H2V 54  
A1H2V H11 H11 H 0 1 N N N N N N ? ? ? 11.158  -2.939 0.371  H11 A1H2V 55  
A1H2V H12 H12 H 0 1 N N N N N N ? ? ? 10.386  -2.221 -1.873 H12 A1H2V 56  
A1H2V H13 H13 H 0 1 N N N N N N ? ? ? 10.970  -0.572 -1.547 H13 A1H2V 57  
A1H2V H14 H14 H 0 1 N N N N N N ? ? ? 12.703  -3.103 -1.562 H14 A1H2V 58  
A1H2V H15 H15 H 0 1 N N N N N N ? ? ? 13.287  -1.454 -1.235 H15 A1H2V 59  
A1H2V H16 H16 H 0 1 N N N N N N ? ? ? 14.059  -2.172 1.009  H16 A1H2V 60  
A1H2V H17 H17 H 0 1 N N N N N N ? ? ? 13.475  -3.821 0.682  H17 A1H2V 61  
A1H2V H18 H18 H 0 1 N N N N N N ? ? ? 15.604  -2.336 -0.924 H18 A1H2V 62  
A1H2V H19 H19 H 0 1 N N N N N N ? ? ? 15.020  -3.985 -1.250 H19 A1H2V 63  
A1H2V H20 H20 H 0 1 N N N N N N ? ? ? 6.337   1.192  -2.170 H20 A1H2V 64  
A1H2V H21 H21 H 0 1 N N N N N N ? ? ? 5.753   -0.457 -2.497 H21 A1H2V 65  
A1H2V H22 H22 H 0 1 N N N N N N ? ? ? 4.208   -0.293 -0.564 H22 A1H2V 66  
A1H2V H23 H23 H 0 1 N N N N N N ? ? ? 4.792   1.356  -0.237 H23 A1H2V 67  
A1H2V H24 H24 H 0 1 N N N N N N ? ? ? 4.020   2.074  -2.481 H24 A1H2V 68  
A1H2V H25 H25 H 0 1 N N N N N N ? ? ? 3.436   0.425  -2.808 H25 A1H2V 69  
A1H2V H26 H26 H 0 1 N N N N N N ? ? ? 1.891   0.589  -0.875 H26 A1H2V 70  
A1H2V H27 H27 H 0 1 N N N N N N ? ? ? 2.475   2.238  -0.549 H27 A1H2V 71  
A1H2V H28 H28 H 0 1 N N N N N N ? ? ? -0.962  2.163  -3.723 H28 A1H2V 72  
A1H2V H29 H29 H 0 1 N N N N N N ? ? ? -0.378  3.813  -3.396 H29 A1H2V 73  
A1H2V H30 H30 H 0 1 N N N N N N ? ? ? -2.802  3.741  -3.060 H30 A1H2V 74  
A1H2V H31 H31 H 0 1 N N N N N N ? ? ? -1.544  5.178  -1.529 H31 A1H2V 75  
A1H2V H32 H32 H 0 1 N N N N N N ? ? ? -2.886  4.416  -0.642 H32 A1H2V 76  
A1H2V H33 H33 H 0 1 N N N N N N ? ? ? 0.591   4.146  3.816  H33 A1H2V 77  
A1H2V H34 H34 H 0 1 N N N N N N ? ? ? 1.823   4.917  2.788  H34 A1H2V 78  
A1H2V H35 H35 H 0 1 N N N N N N ? ? ? 2.980   2.695  2.593  H35 A1H2V 79  
A1H2V H36 H36 H 0 1 N N N N N N ? ? ? 3.605   4.401  4.328  H36 A1H2V 80  
A1H2V H37 H37 H 0 1 N N N N N N ? ? ? 2.506   3.592  5.470  H37 A1H2V 81  
A1H2V H38 H38 H 0 1 N N N N N N ? ? ? -4.593  -0.046 -1.938 H38 A1H2V 82  
A1H2V H39 H39 H 0 1 N N N N N N ? ? ? -4.594  0.620  -0.287 H39 A1H2V 83  
A1H2V H40 H40 H 0 1 N N N N N N ? ? ? -6.651  1.904  -0.807 H40 A1H2V 84  
A1H2V H41 H41 H 0 1 N N N N N N ? ? ? -6.650  1.237  -2.457 H41 A1H2V 85  
A1H2V H42 H42 H 0 1 N N N N N N ? ? ? -6.842  -1.055 -1.531 H42 A1H2V 86  
A1H2V H43 H43 H 0 1 N N N N N N ? ? ? -6.843  -0.389 0.119  H43 A1H2V 87  
A1H2V H44 H44 H 0 1 N N N N N N ? ? ? -8.900  0.895  -0.401 H44 A1H2V 88  
A1H2V H45 H45 H 0 1 N N N N N N ? ? ? -8.899  0.228  -2.051 H45 A1H2V 89  
A1H2V H46 H46 H 0 1 N N N N N N ? ? ? -9.092  -2.064 -1.125 H46 A1H2V 90  
A1H2V H47 H47 H 0 1 N N N N N N ? ? ? -9.093  -1.397 0.525  H47 A1H2V 91  
A1H2V H48 H48 H 0 1 N N N N N N ? ? ? -11.150 -0.114 0.005  H48 A1H2V 92  
A1H2V H49 H49 H 0 1 N N N N N N ? ? ? -11.149 -0.781 -1.645 H49 A1H2V 93  
A1H2V H50 H50 H 0 1 N N N N N N ? ? ? -11.341 -3.073 -0.720 H50 A1H2V 94  
A1H2V H51 H51 H 0 1 N N N N N N ? ? ? -11.342 -2.406 0.931  H51 A1H2V 95  
A1H2V H52 H52 H 0 1 N N N N N N ? ? ? -13.399 -1.123 0.411  H52 A1H2V 96  
A1H2V H53 H53 H 0 1 N N N N N N ? ? ? -13.398 -1.789 -1.239 H53 A1H2V 97  
A1H2V H54 H54 H 0 1 N N N N N N ? ? ? -13.590 -4.082 -0.314 H54 A1H2V 98  
A1H2V H55 H55 H 0 1 N N N N N N ? ? ? -13.592 -3.415 1.337  H55 A1H2V 99  
A1H2V H56 H56 H 0 1 N N N N N N ? ? ? -15.649 -2.132 0.817  H56 A1H2V 100 
A1H2V H57 H57 H 0 1 N N N N N N ? ? ? -15.647 -2.798 -0.834 H57 A1H2V 101 
A1H2V H58 H58 H 0 1 N N N N N N ? ? ? -15.840 -5.091 0.092  H58 A1H2V 102 
A1H2V H59 H59 H 0 1 N N N N N N ? ? ? -15.841 -4.424 1.743  H59 A1H2V 103 
A1H2V H60 H60 H 0 1 N N N N N N ? ? ? -17.898 -3.141 1.223  H60 A1H2V 104 
A1H2V H61 H61 H 0 1 N N N N N N ? ? ? -17.897 -3.807 -0.428 H61 A1H2V 105 
A1H2V H62 H62 H 0 1 N N N N N N ? ? ? -18.089 -6.100 0.498  H62 A1H2V 106 
A1H2V H63 H63 H 0 1 N N N N N N ? ? ? -18.090 -5.433 2.149  H63 A1H2V 107 
A1H2V H65 H65 H 0 1 N N N N N N ? ? ? -2.198  3.726  2.373  H65 A1H2V 108 
A1H2V H66 H66 H 0 1 N N N N N N ? ? ? 4.743   2.777  5.659  H66 A1H2V 109 
A1H2V H67 H67 H 0 1 N N N N N N ? ? ? 1.027   1.863  4.574  H67 A1H2V 110 
A1H2V C15 C35 C 0 1 N N N N N N ? ? ? -19.873 -5.008 1.016  C15 A1H2V 111 
A1H2V C16 C36 C 0 1 N N N N N N ? ? ? -20.613 -6.250 1.517  C16 A1H2V 112 
A1H2V H64 H64 H 0 1 N N N N N N ? ? ? -20.147 -4.149 1.629  H64 A1H2V 113 
A1H2V H68 H68 H 0 1 N N N N N N ? ? ? -20.146 -4.816 -0.022 H68 A1H2V 114 
A1H2V H69 H69 H 0 1 N N N N N N ? ? ? -20.338 -7.108 0.904  H69 A1H2V 115 
A1H2V H70 H70 H 0 1 N N N N N N ? ? ? -20.340 -6.442 2.555  H70 A1H2V 116 
A1H2V H71 H71 H 0 1 N N N N N N ? ? ? -21.688 -6.084 1.449  H71 A1H2V 117 
A1H2V C20 C37 C 0 1 N N N N N N ? ? ? 17.515  -4.124 -0.162 C20 A1H2V 118 
A1H2V C21 C38 C 0 1 N N N N N N ? ? ? 18.514  -4.679 0.855  C21 A1H2V 119 
A1H2V C22 C39 C 0 1 N N N N N N ? ? ? 19.832  -5.006 0.150  C22 A1H2V 120 
A1H2V C23 C40 C 0 1 N N N N N N ? ? ? 20.831  -5.561 1.167  C23 A1H2V 121 
A1H2V H9  H9  H 0 1 N N N N N N ? ? ? 17.336  -4.867 -0.939 H9  A1H2V 122 
A1H2V H72 H72 H 0 1 N N N N N N ? ? ? 17.920  -3.218 -0.612 H72 A1H2V 123 
A1H2V H73 H73 H 0 1 N N N N N N ? ? ? 18.692  -3.936 1.632  H73 A1H2V 124 
A1H2V H74 H74 H 0 1 N N N N N N ? ? ? 18.108  -5.585 1.305  H74 A1H2V 125 
A1H2V H75 H75 H 0 1 N N N N N N ? ? ? 19.653  -5.749 -0.627 H75 A1H2V 126 
A1H2V H76 H76 H 0 1 N N N N N N ? ? ? 20.237  -4.100 -0.301 H76 A1H2V 127 
A1H2V H77 H77 H 0 1 N N N N N N ? ? ? 21.009  -4.818 1.944  H77 A1H2V 128 
A1H2V H78 H78 H 0 1 N N N N N N ? ? ? 20.425  -6.467 1.617  H78 A1H2V 129 
A1H2V H79 H79 H 0 1 N N N N N N ? ? ? 21.770  -5.794 0.664  H79 A1H2V 130 
# 
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 
A1H2V C45 C44 SING N N 1   
A1H2V C44 C43 SING N N 2   
A1H2V C1  C2  SING N N 3   
A1H2V C43 C42 SING N N 4   
A1H2V C3  C2  SING N N 5   
A1H2V C3  C4  SING N N 6   
A1H2V C42 C41 SING N N 7   
A1H2V C6  C7  SING N N 8   
A1H2V C6  C5  SING N N 9   
A1H2V C7  C8  SING N N 10  
A1H2V C4  C5  SING N N 11  
A1H2V C41 C40 SING N N 12  
A1H2V C39 C40 SING N N 13  
A1H2V C39 C38 SING N N 14  
A1H2V C8  C9  SING N N 15  
A1H2V C9  C10 SING N N 16  
A1H2V C37 C36 SING N N 17  
A1H2V C37 C38 SING N N 18  
A1H2V C10 C11 SING N N 19  
A1H2V C36 C35 SING N N 20  
A1H2V C11 C12 SING N N 21  
A1H2V C35 C34 SING N N 22  
A1H2V C34 C33 SING N N 23  
A1H2V C12 C13 SING N N 24  
A1H2V O15 C14 DOUB N N 25  
A1H2V C33 C31 SING N N 26  
A1H2V C13 C14 SING N N 27  
A1H2V O32 C31 DOUB N N 28  
A1H2V C14 O16 SING N N 29  
A1H2V O28 C27 SING N N 30  
A1H2V C31 O30 SING N N 31  
A1H2V O16 C17 SING N N 32  
A1H2V C27 C26 SING N N 33  
A1H2V O30 C18 SING N N 34  
A1H2V C17 C18 SING N N 35  
A1H2V C18 C19 SING N N 36  
A1H2V C26 C25 SING N N 37  
A1H2V C26 O29 SING N N 38  
A1H2V C19 O20 SING N N 39  
A1H2V O20 P21 SING N N 40  
A1H2V C25 O24 SING N N 41  
A1H2V O24 P21 SING N N 42  
A1H2V P21 O22 DOUB N N 43  
A1H2V P21 O23 SING N N 44  
A1H2V C7  H1  SING N N 45  
A1H2V C7  H2  SING N N 46  
A1H2V C8  H3  SING N N 47  
A1H2V C8  H4  SING N N 48  
A1H2V C9  H5  SING N N 49  
A1H2V C9  H6  SING N N 50  
A1H2V C1  H7  SING N N 51  
A1H2V C1  H8  SING N N 52  
A1H2V C5  H10 SING N N 53  
A1H2V C5  H11 SING N N 54  
A1H2V C6  H12 SING N N 55  
A1H2V C6  H13 SING N N 56  
A1H2V C4  H14 SING N N 57  
A1H2V C4  H15 SING N N 58  
A1H2V C3  H16 SING N N 59  
A1H2V C3  H17 SING N N 60  
A1H2V C2  H18 SING N N 61  
A1H2V C2  H19 SING N N 62  
A1H2V C10 H20 SING N N 63  
A1H2V C10 H21 SING N N 64  
A1H2V C11 H22 SING N N 65  
A1H2V C11 H23 SING N N 66  
A1H2V C12 H24 SING N N 67  
A1H2V C12 H25 SING N N 68  
A1H2V C13 H26 SING N N 69  
A1H2V C13 H27 SING N N 70  
A1H2V C17 H28 SING N N 71  
A1H2V C17 H29 SING N N 72  
A1H2V C18 H30 SING N N 73  
A1H2V C19 H31 SING N N 74  
A1H2V C19 H32 SING N N 75  
A1H2V C25 H33 SING N N 76  
A1H2V C25 H34 SING N N 77  
A1H2V C26 H35 SING N N 78  
A1H2V C27 H36 SING N N 79  
A1H2V C27 H37 SING N N 80  
A1H2V C33 H38 SING N N 81  
A1H2V C33 H39 SING N N 82  
A1H2V C34 H40 SING N N 83  
A1H2V C34 H41 SING N N 84  
A1H2V C35 H42 SING N N 85  
A1H2V C35 H43 SING N N 86  
A1H2V C36 H44 SING N N 87  
A1H2V C36 H45 SING N N 88  
A1H2V C37 H46 SING N N 89  
A1H2V C37 H47 SING N N 90  
A1H2V C38 H48 SING N N 91  
A1H2V C38 H49 SING N N 92  
A1H2V C39 H50 SING N N 93  
A1H2V C39 H51 SING N N 94  
A1H2V C40 H52 SING N N 95  
A1H2V C40 H53 SING N N 96  
A1H2V C41 H54 SING N N 97  
A1H2V C41 H55 SING N N 98  
A1H2V C42 H56 SING N N 99  
A1H2V C42 H57 SING N N 100 
A1H2V C43 H58 SING N N 101 
A1H2V C43 H59 SING N N 102 
A1H2V C44 H60 SING N N 103 
A1H2V C44 H61 SING N N 104 
A1H2V C45 H62 SING N N 105 
A1H2V C45 H63 SING N N 106 
A1H2V O23 H65 SING N N 107 
A1H2V O28 H66 SING N N 108 
A1H2V O29 H67 SING N N 109 
A1H2V C45 C15 SING N N 110 
A1H2V C15 C16 SING N N 111 
A1H2V C15 H64 SING N N 112 
A1H2V C15 H68 SING N N 113 
A1H2V C16 H69 SING N N 114 
A1H2V C16 H70 SING N N 115 
A1H2V C16 H71 SING N N 116 
A1H2V C1  C20 SING N N 117 
A1H2V C20 C21 SING N N 118 
A1H2V C21 C22 SING N N 119 
A1H2V C22 C23 SING N N 120 
A1H2V C20 H9  SING N N 121 
A1H2V C20 H72 SING N N 122 
A1H2V C21 H73 SING N N 123 
A1H2V C21 H74 SING N N 124 
A1H2V C22 H75 SING N N 125 
A1H2V C22 H76 SING N N 126 
A1H2V C23 H77 SING N N 127 
A1H2V C23 H78 SING N N 128 
A1H2V C23 H79 SING N N 129 
# 
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 
A1H2V InChI            InChI                1.06  "InChI=1S/C40H79O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3,(H,45,46)/t37-,38-/m1/s1" 
A1H2V InChIKey         InChI                1.06  WYVBOKLMHDFYQD-XPSQVAKYSA-N                                                                                                                                                                                                
A1H2V SMILES_CANONICAL CACTVS               3.385 "CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OC[C@H](O)CO)OC(=O)CCCCCCCCCCCCCCC"                                                                                                                                             
A1H2V SMILES           CACTVS               3.385 "CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCCCCCCCCCC"                                                                                                                                               
A1H2V SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCCCCCCCCCC"                                                                                                                                              
A1H2V SMILES           "OpenEye OEToolkits" 2.0.7 "CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCCCCCCCCC"                                                                                                                                                       
# 
_pdbx_chem_comp_identifier.comp_id           A1H2V 
_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})-2,3-bis(oxidanyl)propoxy]-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] octadecanoate" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1H2V "Create component" 2024-01-22 PDBE 
A1H2V "Initial release"  2025-02-05 RCSB 
# 
