(5E)-3-oxo-dodec-5-enoyl-CoA

Properties Image Occurences in reactions MNX_ID MNXM722950 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C33H50N7O18P3S charge -4 mass 957.21678 reference metacycM:CPD-15691 InChIKey VKLHSLOWDWGVGP-WOABMHMMSA-J InChI InChI=1S/C33H54N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h9-10,19-20,22,26-28,32,44-45H,4-8,11-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/b10-9+/t22-,26-,27-,28+,32-/m1/s1 SMILES CCCCCC/C=C/CC(=O)CC(=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