CAS 369651-89-8: Coenzyme A, S-butanoate, lithium salt (1:?)

Description:Coenzyme A, S-butanoate, lithium salt (1:?) is a chemical compound that serves as a derivative of coenzyme A, which is crucial in various biochemical pathways, particularly in the metabolism of fatty acids and the synthesis of acetyl-CoA. This compound is characterized by its role in facilitating the transfer of acyl groups, thereby participating in the synthesis and degradation of fatty acids and other metabolic processes. The lithium salt form indicates that lithium ions are associated with the coenzyme, which may influence its solubility and stability in biological systems. The presence of the butanoate group suggests that it may be involved in specific metabolic pathways related to butyric acid metabolism. As a biochemical agent, it may exhibit properties such as being a substrate for enzymatic reactions or acting as a cofactor in metabolic processes. Its applications could extend to research in metabolic disorders, pharmacology, and biochemistry, particularly in studies focused on energy metabolism and cellular respiration.

Formula:C₂₅H₄₂N₇O₁₇P₃S·xLi

InChI:InChI=1S/C25H42N7O17P3S.Li/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32;/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40);/t14-,18-,19-,20+,24-;/m1./s1

InChI key:InChIKey=SXAZEWSJMLDGFQ-XXXNBSBMSA-N

SMILES:[Li].O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O)CCC