Molecule: 3-oxohexacosanoyl-CoA(4-)
A 3-oxo-fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 3-oxohexacosanoyl-CoA.
Synonyms for 3-oxohexacosanoyl-CoA(4-) :
3-ketocerotoyl-CoA(4-)
3-ketohexacosanoyl-CoA(4-)
3-ketohexacosanoyl-coenzyme A(4-)
3-oxocerotoyl-CoA(4-)
3-oxohexacosanoyl-CoA
3-oxohexacosanoyl-coenzyme A(4-)
Molecular Formula: C47H80N7O18P3S
Molecular wt: 1156.16000 g/mole
Charge: -4
SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=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: VOMUIFOBQMYJPJ-CPIGOPAHSA-J
InChI=1S/C47H84N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h33-34,36,40-42,46,58-59H,4-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/p-4/t36-,40-,41-,42+,46-/m1/s1