产品名称：
4-Methyl-3-oxooctanoyl-CoA
其他名称： c0836；4-Methyl-3-oxooctanoyl-CoA；SCHEMBL3198545；4-Methyl-3-oxooctanoyl-CoA; (Acyl-CoA); [M+H]+;
其他名称： c0836；4-Methyl-3-oxooctanoyl-CoA；SCHEMBL3198545；4-Methyl-3-oxooctanoyl-CoA; (Acyl-CoA); [M+H]+;
结构信息
| 分子式 | C30H50N7O18P3S | 分子量 | 921.7 | ||
| IUPAC Name | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 4-methyl-3-oxooctanethioate | ||||
| InChIKey | VILNKESSLKFRFV-YBHYYHSUSA-N | ||||
| InChI | InChI=1S/C30H50N7O18P3S/c1-5-6-7-17(2)18(38)12-21(40)59-11-10-32-20(39)8-9-33-28(43)25(42)30(3,4)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h15-17,19,23-25,29,41-42H,5-14H2,1-4H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/t17?,19-,23-,24-,25+,29-/m1/s1 | ||||
| SMILES | CCCCC(C)C(=O)CC(=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 | ||||
