Product Name：
S-butanoate-CoA,trilithiumsalt
Other Names： S-丁酸辅酶A三锂盐;Coenzyme A,S-butanoate, trilithium salt
CAS：102282-28-0
Other Names： S-丁酸辅酶A三锂盐;Coenzyme A,S-butanoate, trilithium salt
CAS：102282-28-0
Structural Information
| Molecular Formula | C25H42N7O17P3S.3LI | Molecular Weight | 861.36 | ||
| IUPAC Name | trilithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-(2-butanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate | ||||
| InChIKey | SSSSPMGDEUHRDN-WSRMJXCZSA-K | ||||
| InChI | InChI=1S/C25H42N7O17P3S.3Li/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);;;/q;3*+1/p-3/t14-,18-,19-,20+,24-;;;/m1.../s1 | ||||
| SMILES | [Li+].[Li+].[Li+].CCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O | ||||
