3(S),12(R)-dihydroxy-5-oxo-eicosa-8E,10E,14Z-trienoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM162895 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 5 formula C41H62N7O20P3S charge -4 mass 1097.30051 reference biggM:CE5344 InChIKey MTOULHSNAKRXGD-YCGRRFPFSA-J InChI InChI=1S/C41H66N7O20P3S/c1-4-5-6-7-8-11-14-27(49)15-12-9-10-13-16-28(50)21-29(51)22-32(53)72-20-19-43-31(52)17-18-44-39(56)36(55)41(2,3)24-65-71(62,63)68-70(60,61)64-23-30-35(67-69(57,58)59)34(54)40(66-30)48-26-47-33-37(42)45-25-46-38(33)48/h8-12,15,25-27,29-30,34-36,40,49,51,54-55H,4-7,13-14,16-24H2,1-3H3,(H,43,52)(H,44,56)(H,60,61)(H,62,63)(H2,42,45,46)(H2,57,58,59)/p-4/t27-,29+,30+,34-,35-,36?,40+/m1/s1 SMILES CCCCCC=CC[C@@H](O)C=CC=CCCC(=O)C[C@H](O)CC(=O)SCCN=C([O-])CCN=C([O-])C(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