4-hydroxycrotonyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM65411 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C25H36N7O18P3S charge -4 mass 847.10723 reference metacycM:OH-CROTONYL-COA InChIKey FQFRDDVZPBFYST-GLTODZKNSA-J InChI InChI=1S/C25H40N7O18P3S/c1-25(2,20(37)23(38)28-6-5-15(34)27-7-9-54-16(35)4-3-8-33)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(36)24(48-14)32-13-31-17-21(26)29-12-30-22(17)32/h3-4,12-14,18-20,24,33,36-37H,5-11H2,1-2H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/p-4/b4-3+/t14-,18-,19-,20+,24-/m1/s1 SMILES CC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C/CO

Parent-child relations graph

Deprecated MNXref IDs graph