Molecule: acetoacetyl-CoA(4-)
A 3-oxoacyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of acetoacetyl-CoA.
Synonyms for acetoacetyl-CoA(4-) :
acetoacetyl-CoA
acetoacetyl-CoA tetraanion
acetoacetyl-coenzyme A(4-)
Molecular Formula: C25H36N7O18P3S
Molecular wt: 847.57600 g/mole
Charge: -4
SMILES: 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]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
InChIKey: OJFDKHTZOUZBOS-CITAKDKDSA-J
InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/p-4/t14-,18-,19-,20+,24-/m1/s1
Sample reactions for this molecule: