产品名称：
N,N,N-trimethylglycyl-CoA(3-)
其他名称： N,N,N-trimethylglycyl-CoA(3-)；betainyl-CoA；glycylbetainyl-CoA(3-)；glycinebetainyl-CoA(3-)；CHEBI:85405；Q27158552
其他名称： N,N,N-trimethylglycyl-CoA(3-)；betainyl-CoA；glycylbetainyl-CoA(3-)；glycinebetainyl-CoA(3-)；CHEBI:85405；Q27158552
结构信息
| 分子式 | C26H42N8O17P3S-3 | 分子量 | 863.6 | ||
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-[2-(trimethylazaniumyl)acetyl]sulfanylethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate | ||||
| InChIKey | YKDFVXJTYIVYPM-ZMHDXICWSA-K | ||||
| InChI | InChI=1S/C26H45N8O17P3S/c1-26(2,21(38)24(39)29-7-6-16(35)28-8-9-55-17(36)10-34(3,4)5)12-48-54(45,46)51-53(43,44)47-11-15-20(50-52(40,41)42)19(37)25(49-15)33-14-32-18-22(27)30-13-31-23(18)33/h13-15,19-21,25,37-38H,6-12H2,1-5H3,(H7-,27,28,29,30,31,35,39,40,41,42,43,44,45,46)/p-3/t15-,19-,20-,21+,25-/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)C[N+](C)(C)C)O | ||||
