Product Name：
2,6-Dimethylheptanoyl-CoA
Other Names： 2,6-Dimethylheptanoyl-CoA；2,6-Dimethylheptanoyl CoA；SCHEMBL15526066；CHEBI:85504；Q27158607
Other Names： 2,6-Dimethylheptanoyl-CoA；2,6-Dimethylheptanoyl CoA；SCHEMBL15526066；CHEBI:85504；Q27158607
Structural Information
| Molecular Formula | C30H52N7O17P3S | Molecular Weight | 907.8 | ||
| 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] 2,6-dimethylheptanethioate | ||||
| InChIKey | GPXWBKWDXPBLKS-LNSOOWQSSA-N | ||||
| 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)/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 | ||||
