8,9-epoxy-(5Z,11Z,14Z)-eicosatrienoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM163222 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1 formula C41H62N7O18P3S charge -4 mass 1065.31068 reference chebi:136107 InChIKey LXSGFLHDCXXEGX-RNHTUXGESA-J InChI InChI=1S/C41H66N7O18P3S/c1-4-5-6-7-8-9-10-11-14-17-28-29(63-28)18-15-12-13-16-19-32(50)70-23-22-43-31(49)20-21-44-39(53)36(52)41(2,3)25-62-69(59,60)66-68(57,58)61-24-30-35(65-67(54,55)56)34(51)40(64-30)48-27-47-33-37(42)45-26-46-38(33)48/h8-9,11-12,14-15,26-30,34-36,40,51-52H,4-7,10,13,16-25H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b9-8-,14-11-,15-12-/t28?,29?,30-,34-,35-,36+,40-/m1/s1 SMILES CCCCC/C=C\C/C=C\CC1OC1C/C=C\CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]

Parent-child relations graph

Deprecated MNXref IDs graph