Molecule: 3-oxooctadecanoyl-CoA(4-)
A 3-oxo-fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate groups of 3-oxooctadecanoyl-CoA; major species at pH 7.3.
Synonyms for 3-oxooctadecanoyl-CoA(4-) :
3-ketooctadecanoyl-CoA(4-)
3-ketooctadecanoyl-coenzyme A(4-)
3-ketostearoyl-CoA(4-)
3-ketostearoyl-coenzyme A(4-)
3-oxooctadecanoyl-CoA
3-oxooctadecanoyl-coenzyme A(4-)
3-oxostearoyl-CoA(4-)
3-oxostearoyl-coenzyme A(4-)
Molecular Formula: C39H64N7O18P3S
Molecular wt: 1043.94800 g/mole
Charge: -4
SMILES: CCCCCCCCCCCCCCCC(=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: LGOGWHDPDVAUNY-LFZQUHGESA-J
InChI=1S/C39H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h25-26,28,32-34,38,50-51H,4-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/t28-,32-,33-,34+,38-/m1/s1
Sample reactions for this molecule: