Cyclohexanoyl CoA;Cyclohexanecarboxyl-CoA
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] cyclohexanecarbothioate
Also Known As: Cyclohexanoyl Coenzyme A|Cyclohexanoyl-Coenzyme A|Cyclohexanecarboxyl-coenzyme A|Cyclohexanoyl CoA;Cyclohexanecarboxyl-CoA|Cyclohexanecarboxyl-coenzyme A; (Acyl-CoA); [M+H]+;|S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] cyclohexanecarbothioate
| Molecular Formula | C28H46N7O17P3S |
|---|---|
| Molecular Weight | 877.18835 g/mol |
| LogP | 0.245 |
| Topological Polar Surface Area | 363.63 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 20 |
| Exact Mass | 877.18835 |
| Monoisotopic Mass | 877.18835 |
| Heavy Atoms | 56 |
| Complexity | 1844.1046 |
Chemical Identifiers
| CAS Number | 5960-12-3 |
|---|---|
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C4CCCCC4)O |
Product Overview
Cyclohexanoyl CoA;Cyclohexanecarboxyl-CoA (CAS 5960-12-3), with molecular formula C28H46N7O17P3S and molecular weight 877.18835 g/mol. IUPAC: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] cyclohexanecarbothioate.