产品名称：
5-Methyl-3-oxo-4-hexenoyl-CoA
其他名称： 5-Methyl-3-oxo-4-hexenoyl-CoA；5-Methyl-3-oxo-4-hexenoyl-CoA; (Acyl-CoA); [M+H]+;；SCHEMBL19359069
其他名称： 5-Methyl-3-oxo-4-hexenoyl-CoA；5-Methyl-3-oxo-4-hexenoyl-CoA; (Acyl-CoA); [M+H]+;；SCHEMBL19359069
结构信息
| 分子式 | C28H44N7O18P3S | 分子量 | 891.7 | ||
| 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] 5-methyl-3-oxohex-4-enethioate | ||||
| InChIKey | ZFKZVSUJTDSJEY-SVHODSNWSA-N | ||||
| InChI | InChI=1S/C28H44N7O18P3S/c1-15(2)9-16(36)10-19(38)57-8-7-30-18(37)5-6-31-26(41)23(40)28(3,4)12-50-56(47,48)53-55(45,46)49-11-17-22(52-54(42,43)44)21(39)27(51-17)35-14-34-20-24(29)32-13-33-25(20)35/h9,13-14,17,21-23,27,39-40H,5-8,10-12H2,1-4H3,(H,30,37)(H,31,41)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,21-,22-,23+,27-/m1/s1 | ||||
| SMILES | CC(=CC(=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)C | ||||
