产品名称：
2-Methyl-3-oxohexanoyl-CoA
其他名称： 2-Methyl-3-oxohexanoyl-CoA；SCHEMBL3186360；2-Methyl-3-oxohexanoyl-CoA; (Acyl-CoA); [M+H]+;
其他名称： 2-Methyl-3-oxohexanoyl-CoA；SCHEMBL3186360；2-Methyl-3-oxohexanoyl-CoA; (Acyl-CoA); [M+H]+;
结构信息
| 分子式 | C28H46N7O18P3S | 分子量 | 893.7 | ||
| 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] 2-methyl-3-oxohexanethioate | ||||
| InChIKey | OLGJBADLFLQCOO-OXXAVVHVSA-N | ||||
| InChI | InChI=1S/C28H46N7O18P3S/c1-5-6-16(36)15(2)27(41)57-10-9-30-18(37)7-8-31-25(40)22(39)28(3,4)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h13-15,17,20-22,26,38-39H,5-12H2,1-4H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t15?,17-,20-,21-,22+,26-/m1/s1 | ||||
| SMILES | CCCC(=O)C(C)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 | ||||
