data_HZA
# 
_chem_comp.id                                    HZA 
_chem_comp.name                                  2,5,8,11,14,17,20,23,26-nonaoxaoctacosane 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C19 H40 O9" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2018-07-30 
_chem_comp.pdbx_modified_date                    2024-03-15 
_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                        412.516 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     HZA 
_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        ? 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
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 
HZA C1  C1  C 0 1 N N N N N N ? ? ? 11.779  1.623  -0.275 C1  HZA 1  
HZA C2  C2  C 0 1 N N N N N N ? ? ? 10.895  0.903  -1.296 C2  HZA 2  
HZA C4  C3  C 0 1 N N N N N N ? ? ? 9.149   -0.727 -1.483 C4  HZA 3  
HZA O3  O1  O 0 1 N N N N N N ? ? ? 10.021  -0.000 -0.616 O3  HZA 4  
HZA C5  C4  C 0 1 N N N N N N ? ? ? 8.264   -1.658 -0.651 C5  HZA 5  
HZA O6  O2  O 0 1 N N N N N N ? ? ? 7.404   -0.879 0.183  O6  HZA 6  
HZA C7  C5  C 0 1 N N N N N N ? ? ? 6.532   -1.656 1.006  C7  HZA 7  
HZA C8  C6  C 0 1 N N N N N N ? ? ? 5.663   -0.723 1.852  C8  HZA 8  
HZA O9  O3  O 0 1 N N N N N N ? ? ? 4.803   0.033  0.997  O9  HZA 9  
HZA C10 C7  C 0 1 N N N N N N ? ? ? 3.945   0.941  1.691  C10 HZA 10 
HZA C11 C8  C 0 1 N N N N N N ? ? ? 3.075   1.692  0.682  C11 HZA 11 
HZA O12 O4  O 0 1 N N N N N N ? ? ? 2.200   0.771  0.028  O12 HZA 12 
HZA C13 C9  C 0 1 N N N N N N ? ? ? 1.339   1.373  -0.940 C13 HZA 13 
HZA C14 C10 C 0 1 N N N N N N ? ? ? 0.452   0.299  -1.573 C14 HZA 14 
HZA O15 O5  O 0 1 N N N N N N ? ? ? -0.419  -0.246 -0.580 O15 HZA 15 
HZA C16 C11 C 0 1 N N N N N N ? ? ? -1.294  -1.264 -1.069 C16 HZA 16 
HZA C17 C12 C 0 1 N N N N N N ? ? ? -2.175  -1.772 0.074  C17 HZA 17 
HZA O18 O6  O 0 1 N N N N N N ? ? ? -3.032  -0.719 0.519  O18 HZA 18 
HZA C19 C13 C 0 1 N N N N N N ? ? ? -3.901  -1.090 1.591  C19 HZA 19 
HZA C20 C14 C 0 1 N N N N N N ? ? ? -4.767  0.108  1.984  C20 HZA 20 
HZA O21 O7  O 0 1 N N N N N N ? ? ? -5.631  0.448  0.897  O21 HZA 21 
HZA C22 C15 C 0 1 N N N N N N ? ? ? -6.487  1.561  1.162  C22 HZA 22 
HZA C23 C16 C 0 1 N N N N N N ? ? ? -7.362  1.834  -0.063 C23 HZA 23 
HZA O24 O8  O 0 1 N N N N N N ? ? ? -8.238  0.726  -0.279 O24 HZA 24 
HZA C25 C17 C 0 1 N N N N N N ? ? ? -9.104  0.880  -1.406 C25 HZA 25 
HZA C26 C18 C 0 1 N N N N N N ? ? ? -9.992  -0.359 -1.540 C26 HZA 26 
HZA O27 O9  O 0 1 N N N N N N ? ? ? -10.858 -0.449 -0.408 O27 HZA 27 
HZA C28 C19 C 0 1 N N N N N N ? ? ? -11.734 -1.577 -0.435 C28 HZA 28 
HZA H1  H1  H 0 1 N N N N N N ? ? ? 12.446  2.312  -0.794 H1  HZA 29 
HZA H2  H2  H 0 1 N N N N N N ? ? ? 11.151  2.180  0.421  H2  HZA 30 
HZA H3  H3  H 0 1 N N N N N N ? ? ? 12.370  0.891  0.275  H3  HZA 31 
HZA H4  H4  H 0 1 N N N N N N ? ? ? 10.304  1.636  -1.846 H4  HZA 32 
HZA H5  H5  H 0 1 N N N N N N ? ? ? 11.523  0.347  -1.992 H5  HZA 33 
HZA H6  H6  H 0 1 N N N N N N ? ? ? 8.521   -0.029 -2.036 H6  HZA 34 
HZA H7  H7  H 0 1 N N N N N N ? ? ? 9.740   -1.318 -2.182 H7  HZA 35 
HZA H8  H8  H 0 1 N N N N N N ? ? ? 7.661   -2.277 -1.316 H8  HZA 36 
HZA H9  H9  H 0 1 N N N N N N ? ? ? 8.891   -2.298 -0.031 H9  HZA 37 
HZA H10 H10 H 0 1 N N N N N N ? ? ? 5.893   -2.274 0.375  H10 HZA 38 
HZA H11 H11 H 0 1 N N N N N N ? ? ? 7.123   -2.295 1.661  H11 HZA 39 
HZA H12 H12 H 0 1 N N N N N N ? ? ? 5.061   -1.314 2.542  H12 HZA 40 
HZA H13 H13 H 0 1 N N N N N N ? ? ? 6.302   -0.044 2.417  H13 HZA 41 
HZA H14 H14 H 0 1 N N N N N N ? ? ? 3.307   0.384  2.378  H14 HZA 42 
HZA H15 H15 H 0 1 N N N N N N ? ? ? 4.549   1.654  2.252  H15 HZA 43 
HZA H16 H16 H 0 1 N N N N N N ? ? ? 2.484   2.447  1.202  H16 HZA 44 
HZA H17 H17 H 0 1 N N N N N N ? ? ? 3.712   2.176  -0.058 H17 HZA 45 
HZA H18 H18 H 0 1 N N N N N N ? ? ? 0.712   2.121  -0.453 H18 HZA 46 
HZA H19 H19 H 0 1 N N N N N N ? ? ? 1.940   1.851  -1.714 H19 HZA 47 
HZA H20 H20 H 0 1 N N N N N N ? ? ? -0.141  0.743  -2.372 H20 HZA 48 
HZA H21 H21 H 0 1 N N N N N N ? ? ? 1.078   -0.494 -1.982 H21 HZA 49 
HZA H22 H22 H 0 1 N N N N N N ? ? ? -1.924  -0.853 -1.858 H22 HZA 50 
HZA H23 H23 H 0 1 N N N N N N ? ? ? -0.704  -2.089 -1.468 H23 HZA 51 
HZA H24 H24 H 0 1 N N N N N N ? ? ? -2.780  -2.608 -0.278 H24 HZA 52 
HZA H25 H25 H 0 1 N N N N N N ? ? ? -1.545  -2.101 0.900  H25 HZA 53 
HZA H26 H26 H 0 1 N N N N N N ? ? ? -4.542  -1.912 1.271  H26 HZA 54 
HZA H27 H27 H 0 1 N N N N N N ? ? ? -3.306  -1.406 2.448  H27 HZA 55 
HZA H28 H28 H 0 1 N N N N N N ? ? ? -5.366  -0.148 2.858  H28 HZA 56 
HZA H29 H29 H 0 1 N N N N N N ? ? ? -4.127  0.958  2.219  H29 HZA 57 
HZA H30 H30 H 0 1 N N N N N N ? ? ? -7.122  1.335  2.019  H30 HZA 58 
HZA H31 H31 H 0 1 N N N N N N ? ? ? -5.882  2.441  1.380  H31 HZA 59 
HZA H32 H32 H 0 1 N N N N N N ? ? ? -7.951  2.736  0.105  H32 HZA 60 
HZA H33 H33 H 0 1 N N N N N N ? ? ? -6.728  1.972  -0.939 H33 HZA 61 
HZA H34 H34 H 0 1 N N N N N N ? ? ? -9.729  1.762  -1.266 H34 HZA 62 
HZA H35 H35 H 0 1 N N N N N N ? ? ? -8.506  0.998  -2.310 H35 HZA 63 
HZA H36 H36 H 0 1 N N N N N N ? ? ? -10.588 -0.281 -2.449 H36 HZA 64 
HZA H37 H37 H 0 1 N N N N N N ? ? ? -9.366  -1.250 -1.591 H37 HZA 65 
HZA H38 H38 H 0 1 N N N N N N ? ? ? -12.359 -1.574 0.459  H38 HZA 66 
HZA H39 H39 H 0 1 N N N N N N ? ? ? -12.367 -1.525 -1.321 H39 HZA 67 
HZA H40 H40 H 0 1 N N N N N N ? ? ? -11.146 -2.494 -0.463 H40 HZA 68 
# 
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 
HZA C28 O27 SING N N 1  
HZA O27 C26 SING N N 2  
HZA C26 C25 SING N N 3  
HZA C1  C2  SING N N 4  
HZA C25 O24 SING N N 5  
HZA C19 O18 SING N N 6  
HZA C19 C20 SING N N 7  
HZA O3  C2  SING N N 8  
HZA O3  C4  SING N N 9  
HZA O6  C5  SING N N 10 
HZA O6  C7  SING N N 11 
HZA C22 O21 SING N N 12 
HZA C22 C23 SING N N 13 
HZA O18 C17 SING N N 14 
HZA C5  C4  SING N N 15 
HZA O24 C23 SING N N 16 
HZA C20 O21 SING N N 17 
HZA C8  C7  SING N N 18 
HZA C8  O9  SING N N 19 
HZA C17 C16 SING N N 20 
HZA O9  C10 SING N N 21 
HZA C16 O15 SING N N 22 
HZA C10 C11 SING N N 23 
HZA O12 C11 SING N N 24 
HZA O12 C13 SING N N 25 
HZA O15 C14 SING N N 26 
HZA C13 C14 SING N N 27 
HZA C1  H1  SING N N 28 
HZA C1  H2  SING N N 29 
HZA C1  H3  SING N N 30 
HZA C2  H4  SING N N 31 
HZA C2  H5  SING N N 32 
HZA C4  H6  SING N N 33 
HZA C4  H7  SING N N 34 
HZA C5  H8  SING N N 35 
HZA C5  H9  SING N N 36 
HZA C7  H10 SING N N 37 
HZA C7  H11 SING N N 38 
HZA C8  H12 SING N N 39 
HZA C8  H13 SING N N 40 
HZA C10 H14 SING N N 41 
HZA C10 H15 SING N N 42 
HZA C11 H16 SING N N 43 
HZA C11 H17 SING N N 44 
HZA C13 H18 SING N N 45 
HZA C13 H19 SING N N 46 
HZA C14 H20 SING N N 47 
HZA C14 H21 SING N N 48 
HZA C16 H22 SING N N 49 
HZA C16 H23 SING N N 50 
HZA C17 H24 SING N N 51 
HZA C17 H25 SING N N 52 
HZA C19 H26 SING N N 53 
HZA C19 H27 SING N N 54 
HZA C20 H28 SING N N 55 
HZA C20 H29 SING N N 56 
HZA C22 H30 SING N N 57 
HZA C22 H31 SING N N 58 
HZA C23 H32 SING N N 59 
HZA C23 H33 SING N N 60 
HZA C25 H34 SING N N 61 
HZA C25 H35 SING N N 62 
HZA C26 H36 SING N N 63 
HZA C26 H37 SING N N 64 
HZA C28 H38 SING N N 65 
HZA C28 H39 SING N N 66 
HZA C28 H40 SING N N 67 
# 
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 
HZA SMILES           ACDLabs              12.01 CCOCCOCCOCCOCCOCCOCCOCCOCCOC                                                                                
HZA InChI            InChI                1.03  InChI=1S/C19H40O9/c1-3-21-6-7-23-10-11-25-14-15-27-18-19-28-17-16-26-13-12-24-9-8-22-5-4-20-2/h3-19H2,1-2H3 
HZA InChIKey         InChI                1.03  UGOLRRAKQMSITE-UHFFFAOYSA-N                                                                                 
HZA SMILES_CANONICAL CACTVS               3.385 CCOCCOCCOCCOCCOCCOCCOCCOCCOC                                                                                
HZA SMILES           CACTVS               3.385 CCOCCOCCOCCOCCOCCOCCOCCOCCOC                                                                                
HZA SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 CCOCCOCCOCCOCCOCCOCCOCCOCCOC                                                                                
HZA SMILES           "OpenEye OEToolkits" 2.0.6 CCOCCOCCOCCOCCOCCOCCOCCOCCOC                                                                                
# 
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 
HZA "SYSTEMATIC NAME" ACDLabs              12.01 2,5,8,11,14,17,20,23,26-nonaoxaoctacosane                                                         
HZA "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.6 "1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxy-ethane" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
HZA "Create component" 2018-07-30 RCSB 
HZA "Initial release"  2024-03-20 RCSB 
# 
