产品名称：
S-octanoate- CoA,triammoniumsalt
其他名称： S-octanoate-coenzyme A,Triammonium salt
CAS：799812-82-1
其他名称： S-octanoate-coenzyme A,Triammonium salt
CAS：799812-82-1
结构信息
| 分子式 | C29H47N7O17P3S-3.3[H4N+] | 分子量 | 944.82 | ||
| IUPAC Name | triazanium;[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-[[3-(2-octanoylsulfanylethylamino)-3-oxopropyl]amino]-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate | ||||
| InChIKey | FTIQWXKUZWNHGD-UHFFFAOYSA-N | ||||
| InChI | InChI=1S/C29H50N7O17P3S.3H3N/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26(21)36;;;/h16-18,22-24,28,39-40H,4-15H2,1-3H3,(H,31,37)(H,32,41)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44);3*1H3 | ||||
| SMILES | CCCCCCCC(=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.[NH4+].[NH4+].[NH4+] | ||||
