data_MAY
# 
_chem_comp.id                                    MAY 
_chem_comp.name                                  "METHYL ARACHIDONYL FLUOROPHOSPHONATE" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C21 H36 F O2 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         MAFP 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2002-10-01 
_chem_comp.pdbx_modified_date                    2024-09-27 
_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                        370.482 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     MAY 
_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        1MT5 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_chem_comp.pdbx_pcm                              Y 
# 
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 
MAY F    F    F 0 1 N Y N N N N 51.600 92.473 18.573 -6.280 1.988  0.876  F    MAY 1  
MAY C1   C1   C 0 1 N N N N N N 50.766 90.083 17.532 -5.877 0.093  -1.219 C1   MAY 2  
MAY O1   O1   O 0 1 N N N N N N 53.168 91.055 16.767 -7.851 -0.035 0.624  O1   MAY 3  
MAY P1   P1   P 0 1 N N S N N N 52.177 91.108 18.008 -7.085 0.957  -0.162 P1   MAY 4  
MAY C2   C2   C 0 1 N N N N N N 49.659 90.016 18.552 -4.917 -0.713 -0.342 C2   MAY 5  
MAY O2   O2   O 0 1 N N N N N N 52.889 90.679 19.387 -8.095 1.806  -1.086 O2   MAY 6  
MAY C3   C3   C 0 1 N N N N N N 49.178 88.569 18.627 -3.902 -1.438 -1.228 C3   MAY 7  
MAY C4   C4   C 0 1 N N N N N N 47.895 88.376 17.816 -2.943 -2.244 -0.351 C4   MAY 8  
MAY C5   C5   C 0 1 N N N N N N 46.750 88.072 18.772 -1.943 -2.958 -1.224 C5   MAY 9  
MAY C6   C6   C 0 1 N N N N N N 46.257 86.843 18.994 -0.661 -2.831 -0.991 C6   MAY 10 
MAY C7   C7   C 0 1 N N N N N N 46.758 85.622 18.240 -0.187 -2.108 0.243  C7   MAY 11 
MAY C8   C8   C 0 1 N N N N N N 47.579 84.744 19.147 0.763  -2.992 1.010  C8   MAY 12 
MAY C9   C9   C 0 1 N N N N N N 47.779 83.449 18.869 1.943  -2.539 1.356  C9   MAY 13 
MAY CM   CM   C 0 1 N N N N N N 54.320 90.701 19.549 -9.160 2.595  -0.552 CM   MAY 14 
MAY C10  C10  C 0 1 N N N N N N 47.212 82.794 17.625 2.288  -1.089 1.136  C10  MAY 15 
MAY C11  C11  C 0 1 N N N N N N 48.344 82.250 16.795 2.765  -0.484 2.431  C11  MAY 16 
MAY C12  C12  C 0 1 N N N N N N 48.264 82.085 15.475 3.915  0.141  2.477  C12  MAY 17 
MAY C13  C13  C 0 1 N N N N N N 47.054 82.488 14.667 4.679  0.410  1.206  C13  MAY 18 
MAY C14  C14  C 0 1 N N N N N N 47.564 83.284 13.495 5.010  1.878  1.119  C14  MAY 19 
MAY C15  C15  C 0 1 N N N N N N 47.069 83.189 12.269 6.249  2.260  0.933  C15  MAY 20 
MAY C16  C16  C 0 1 N N N N N N 45.945 82.271 11.876 7.317  1.238  0.642  C16  MAY 21 
MAY C17  C17  C 0 1 N N N N N N 44.613 83.038 11.819 8.078  1.642  -0.622 C17  MAY 22 
MAY C18  C18  C 0 1 N N N N N N 43.493 82.220 12.467 9.163  0.604  -0.918 C18  MAY 23 
MAY C19  C19  C 0 1 N N N N N N 43.301 80.879 11.744 9.924  1.008  -2.182 C19  MAY 24 
MAY C20  C20  C 0 1 N N N N N N 43.167 79.740 12.718 11.009 -0.030 -2.478 C20  MAY 25 
MAY H1   H1   H 0 1 N N N N N N 50.344 90.503 16.607 -6.402 -0.580 -1.896 H1   MAY 26 
MAY H1A  H1A  H 0 1 N N N N N N 51.135 89.059 17.371 -5.312 0.824  -1.798 H1A  MAY 27 
MAY H2   H2   H 0 1 N N N N N N 50.033 90.340 19.535 -4.391 -0.040 0.336  H2   MAY 28 
MAY H2A  H2A  H 0 1 N N N N N N 48.830 90.673 18.251 -5.481 -1.444 0.237  H2A  MAY 29 
MAY H3   H3   H 0 1 N N N N N N 49.960 87.911 18.221 -4.428 -2.111 -1.906 H3   MAY 30 
MAY H3A  H3A  H 0 1 N N N N N N 48.979 88.312 19.678 -3.338 -0.707 -1.808 H3A  MAY 31 
MAY H4   H4   H 0 1 N N N N N N 47.672 89.293 17.251 -2.417 -1.571 0.326  H4   MAY 32 
MAY H4A  H4A  H 0 1 N N N N N N 48.023 87.539 17.114 -3.507 -2.975 0.228  H4A  MAY 33 
MAY H5   H5   H 0 1 N N N N N N 46.305 88.899 19.306 -2.285 -3.575 -2.043 H5   MAY 34 
MAY H6   H6   H 0 1 N N N N N N 45.479 86.718 19.733 0.058  -3.244 -1.684 H6   MAY 35 
MAY H7   H7   H 0 1 N N N N N N 45.896 85.049 17.867 0.324  -1.190 -0.047 H7   MAY 36 
MAY H7A  H7A  H 0 1 N N N N N N 47.381 85.950 17.395 -1.044 -1.864 0.872  H7A  MAY 37 
MAY H8   H8   H 0 1 N N N N N N 48.015 85.167 20.040 0.471  -3.998 1.273  H8   MAY 38 
MAY H9   H9   H 0 1 N N N N N N 48.363 82.852 19.554 2.667  -3.206 1.800  H9   MAY 39 
MAY HM   HM   H 0 1 N N N N N N 54.580 90.370 20.566 -8.751 3.359  0.108  HM   MAY 40 
MAY HMA  HMA  H 0 1 N N N N N N 54.782 90.025 18.815 -9.702 3.073  -1.368 HMA  MAY 41 
MAY HMB  HMB  H 0 1 N N N N N N 54.691 91.724 19.390 -9.840 1.955  0.010  HMB  MAY 42 
MAY H10  H10  H 0 1 N N N N N N 46.539 81.973 17.914 3.077  -1.013 0.387  H10  MAY 43 
MAY H10A H10A H 0 0 N N N N N N 46.650 83.537 17.040 1.405  -0.554 0.788  H10A MAY 44 
MAY H11  H11  H 0 1 N N N N N N 49.264 81.981 17.293 2.159  -0.566 3.321  H11  MAY 45 
MAY H12  H12  H 0 1 N N N N N N 49.104 81.643 14.959 4.317  0.464  3.427  H12  MAY 46 
MAY H13  H13  H 0 1 N N N N N N 46.511 81.597 14.319 5.601  -0.171 1.206  H13  MAY 47 
MAY H13A H13A H 0 0 N N N N N N 46.371 83.097 15.277 4.069  0.124  0.349  H13A MAY 48 
MAY H14  H14  H 0 1 N N N N N N 48.380 83.972 13.663 4.225  2.614  1.211  H14  MAY 49 
MAY H15  H15  H 0 1 N N N N N N 47.502 83.813 11.501 6.505  3.308  0.988  H15  MAY 50 
MAY H16  H16  H 0 1 N N N N N N 46.158 81.846 10.884 8.009  1.186  1.482  H16  MAY 51 
MAY H16A H16A H 0 0 N N N N N N 45.864 81.464 12.619 6.855  0.262  0.491  H16A MAY 52 
MAY H17  H17  H 0 1 N N N N N N 44.722 83.990 12.359 7.386  1.693  -1.463 H17  MAY 53 
MAY H17A H17A H 0 0 N N N N N N 44.354 83.233 10.768 8.540  2.617  -0.472 H17A MAY 54 
MAY H18  H18  H 0 1 N N N N N N 43.755 82.025 13.518 9.855  0.552  -0.078 H18  MAY 55 
MAY H18A H18A H 0 0 N N N N N N 42.555 82.793 12.413 8.701  -0.372 -1.069 H18A MAY 56 
MAY H19  H19  H 0 1 N N N N N N 42.387 80.933 11.134 9.232  1.059  -3.023 H19  MAY 57 
MAY H19A H19A H 0 0 N N N N N N 44.175 80.695 11.102 10.386 1.984  -2.032 H19A MAY 58 
MAY H20  H20  H 0 1 N N N N N N 43.031 78.798 12.166 10.546 -1.006 -2.629 H20  MAY 59 
MAY H20A H20A H 0 0 N N N N N N 44.076 79.676 13.334 11.551 0.258  -3.379 H20A MAY 60 
MAY H20B H20B H 0 0 N N N N N N 42.296 79.913 13.367 11.701 -0.082 -1.638 H20B MAY 61 
# 
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 
MAY P1  F    SING N N 1  
MAY C1  P1   SING N N 2  
MAY C1  C2   SING N N 3  
MAY C1  H1   SING N N 4  
MAY C1  H1A  SING N N 5  
MAY O1  P1   DOUB N N 6  
MAY P1  O2   SING N N 7  
MAY C2  C3   SING N N 8  
MAY C2  H2   SING N N 9  
MAY C2  H2A  SING N N 10 
MAY O2  CM   SING N N 11 
MAY C4  C3   SING N N 12 
MAY C3  H3   SING N N 13 
MAY C3  H3A  SING N N 14 
MAY C4  C5   SING N N 15 
MAY C4  H4   SING N N 16 
MAY C4  H4A  SING N N 17 
MAY C5  C6   DOUB N Z 18 
MAY C5  H5   SING N N 19 
MAY C7  C6   SING N N 20 
MAY C6  H6   SING N N 21 
MAY C7  C8   SING N N 22 
MAY C7  H7   SING N N 23 
MAY C7  H7A  SING N N 24 
MAY C9  C8   DOUB N N 25 
MAY C8  H8   SING N Z 26 
MAY C10 C9   SING N N 27 
MAY C9  H9   SING N N 28 
MAY CM  HM   SING N N 29 
MAY CM  HMA  SING N N 30 
MAY CM  HMB  SING N N 31 
MAY C11 C10  SING N N 32 
MAY C10 H10  SING N N 33 
MAY C10 H10A SING N N 34 
MAY C12 C11  DOUB N N 35 
MAY C11 H11  SING N Z 36 
MAY C13 C12  SING N N 37 
MAY C12 H12  SING N N 38 
MAY C14 C13  SING N N 39 
MAY C13 H13  SING N N 40 
MAY C13 H13A SING N N 41 
MAY C15 C14  DOUB N N 42 
MAY C14 H14  SING N Z 43 
MAY C16 C15  SING N N 44 
MAY C15 H15  SING N N 45 
MAY C17 C16  SING N N 46 
MAY C16 H16  SING N N 47 
MAY C16 H16A SING N N 48 
MAY C17 C18  SING N N 49 
MAY C17 H17  SING N N 50 
MAY C17 H17A SING N N 51 
MAY C19 C18  SING N N 52 
MAY C18 H18  SING N N 53 
MAY C18 H18A SING N N 54 
MAY C19 C20  SING N N 55 
MAY C19 H19  SING N N 56 
MAY C19 H19A SING N N 57 
MAY C20 H20  SING N N 58 
MAY C20 H20A SING N N 59 
MAY C20 H20B SING N N 60 
# 
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 
MAY SMILES           ACDLabs              12.01 "FP(=O)(OC)CCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC"                                                                                                                                     
MAY SMILES_CANONICAL CACTVS               3.370 "CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC[P@](F)(=O)OC"                                                                                                                                  
MAY SMILES           CACTVS               3.370 "CCCCCC=CCC=CCC=CCC=CCCCC[P](F)(=O)OC"                                                                                                                                           
MAY SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC[P@](=O)(OC)F"                                                                                                                                  
MAY SMILES           "OpenEye OEToolkits" 1.7.0 "CCCCCC=CCC=CCC=CCC=CCCCCP(=O)(OC)F"                                                                                                                                             
MAY InChI            InChI                1.03  "InChI=1S/C21H36FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(22,23)24-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-21H2,1-2H3/b8-7-,11-10-,14-13-,17-16-/t25-/m0/s1" 
MAY InChIKey         InChI                1.03  KWKZCGMJGHHOKJ-WTIHWRCNSA-N                                                                                                                                                      
# 
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 
MAY "SYSTEMATIC NAME" ACDLabs              12.01 "methyl (S)-(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-ylphosphonofluoridate" 
MAY "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.0 "(5Z,8Z,11Z,14Z)-1-[fluoro(methoxy)phosphoryl]icosa-5,8,11,14-tetraene"      
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
MAY "Create component"   2002-10-01 RCSB 
MAY "Other modification" 2011-02-01 RCSB 
MAY "Modify descriptor"  2011-06-04 RCSB 
MAY "Modify synonyms"    2020-06-05 PDBE 
MAY "Modify PCM"         2024-09-27 PDBE 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      MAY 
_pdbx_chem_comp_synonyms.name         MAFP 
_pdbx_chem_comp_synonyms.provenance   ? 
_pdbx_chem_comp_synonyms.type         ? 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            MAY 
_pdbx_chem_comp_pcm.modified_residue_id                SER 
_pdbx_chem_comp_pcm.type                               None 
_pdbx_chem_comp_pcm.category                           Lipid/lipid-like 
_pdbx_chem_comp_pcm.position                           "Amino-acid side chain" 
_pdbx_chem_comp_pcm.polypeptide_position               "Any position" 
_pdbx_chem_comp_pcm.comp_id_linking_atom               P1 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom   OG 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession     ? 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession      ? 
# 
