产品名称:
CoA,sodiumsalt
其他名称: 辅酶A三钠盐;Coenzyme A, sodium salt(1:?)
CAS:55672-92-9
其他名称: 辅酶A三钠盐;Coenzyme A, sodium salt(1:?)
CAS:55672-92-9
结构信息
分子式 | C21H36N7O16P3S.NA+.H2O | 分子量 | 808.54 | ||
IUPAC Name | 3-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-methylpropanoic acid | ||||
InChIKey | YLEVKEKTOJAHCY-UHFFFAOYSA-N | ||||
InChI | InChI=1S/C25H42N7O18P3S/c1-13(24(37)38)9-54-7-6-27-15(33)4-5-28-22(36)19(35)25(2,3)10-47-53(44,45)50-52(42,43)46-8-14-18(49-51(39,40)41)17(34)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,4-10H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41) | ||||
SMILES | CC(CSCCNC(=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)C(=O)O |