产品名称：
2,6-dimethylheptanoyl-CoA(4-)
其他名称： 2,6-dimethylheptanoyl-CoA(4-)；2,6-Dimethylheptanoyl-CoA；CHEBI:84847；Q27158115
其他名称： 2,6-dimethylheptanoyl-CoA(4-)；2,6-Dimethylheptanoyl-CoA；CHEBI:84847；Q27158115
结构信息
| 分子式 | C30H48N7O17P3S-4 | 分子量 | 903.7 | ||
| IUPAC Name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-(2,6-dimethylheptanoylsulfanyl)ethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate | ||||
| InChIKey | GPXWBKWDXPBLKS-LNSOOWQSSA-J | ||||
| InChI | InChI=1S/C30H52N7O17P3S/c1-17(2)7-6-8-18(3)29(42)58-12-11-32-20(38)9-10-33-27(41)24(40)30(4,5)14-51-57(48,49)54-56(46,47)50-13-19-23(53-55(43,44)45)22(39)28(52-19)37-16-36-21-25(31)34-15-35-26(21)37/h15-19,22-24,28,39-40H,6-14H2,1-5H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/t18?,19-,22-,23-,24+,28-/m1/s1 | ||||
| SMILES | CC(C)CCCC(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 | ||||
