产品名称：
S-(hydrogenmethylpropanedioate)-CoA,tetralithiumsalt
其他名称： 丙二酸单酰辅酶A 锂盐;Coenzyme A, S-(hydrogenmethylpropanedioate), tetralithium salt
CAS：104809-02-1
其他名称： 丙二酸单酰辅酶A 锂盐;Coenzyme A, S-(hydrogenmethylpropanedioate), tetralithium salt
CAS：104809-02-1
结构信息
| 分子式 | C25H36N7O19P3S-4.H2O.4[LI+] | 分子量 | 909.35 | ||
| IUPAC Name | tetralithium;3-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[hydroxy(oxido)phosphoryl]oxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-2-methyl-3-oxopropanoate;hydrate | ||||
| InChIKey | ANDKBBZIPFWODN-WLVKLPLXSA-J | ||||
| InChI | InChI=1S/C25H40N7O19P3S.4Li.H2O/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32;;;;;/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42);;;;;1H2/q;4*+1;/p-4/t12?,13-,16-,17-,18+,22-;;;;;/m1...../s1 | ||||
| SMILES | [Li+].[Li+].[Li+].[Li+].CC(C(=O)[O-])C(=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.O | ||||
