3(S),10(R)-OH-octadeca-6-trans-4,12-cis-trienoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM162894 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 5 formula C39H60N7O19P3S charge -4 mass 1055.28995 reference biggM:CE5967 InChIKey NWGGHDWYXJUVMO-VUWTWQKASA-J InChI InChI=1S/C39H64N7O19P3S/c1-4-5-6-7-8-11-14-26(47)15-12-9-10-13-16-27(48)21-30(50)69-20-19-41-29(49)17-18-42-37(53)34(52)39(2,3)23-62-68(59,60)65-67(57,58)61-22-28-33(64-66(54,55)56)32(51)38(63-28)46-25-45-31-35(40)43-24-44-36(31)46/h8-11,13,16,24-28,32-34,38,47-48,51-52H,4-7,12,14-15,17-23H2,1-3H3,(H,41,49)(H,42,53)(H,57,58)(H,59,60)(H2,40,43,44)(H2,54,55,56)/p-4/b10-9+,11-8-,16-13-/t26?,27-,28?,32?,33?,34?,38+/m1/s1 SMILES CCCCC/C=C\CC(O)CC/C=C/C=C\[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1O[C@H](n2cnc3c(N)ncnc32)C(O)C1OP(=O)([O-])[O-]

Parent-child relations graph

Deprecated MNXref IDs graph