产品名称:
S-(hydrogenbutanedioate)-CoA,sodiumsalt
其他名称: 琥珀酰辅酶A钠盐;Coenzyme A, S-(hydrogenbutanedioate), sodium salt
CAS:108347-97-3
其他名称: 琥珀酰辅酶A钠盐;Coenzyme A, S-(hydrogenbutanedioate), sodium salt
CAS:108347-97-3
结构信息
分子式 | C25H40N7O19P3S.XNA | 分子量 | 865.59 | ||
IUPAC Name | 4-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[hydroxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-4-oxobutanoate | ||||
InChIKey | VNOYUJKHFWYWIR-FZEDXVDRSA-L | ||||
InChI | InChI=1S/C25H40N7O19P3S/c1-25(2,20(38)23(39)28-6-5-14(33)27-7-8-55-16(36)4-3-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,37-38H,3-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/p-2/t13-,18-,19-,20?,24-/m1/s1 | ||||
SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])C(C(=O)NCCC(=O)NCCSC(=O)CCC(=O)[O-])O |