palmitoyl CoA
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] hexadecanethioate
Also Known As: palmitoyl-CoA|palmitoyl coenzyme A|palmitoyl CoA|palmityl-CoA|hexadecanoyl CoA|Hexadecanoyl-CoA|Palmityl CoA|S-Palmitoylcoenzyme A|S-Palmityl-CoA|s-hexadecanoate|CoA, Palmitoyl|Coenzyme A, S-hexadecanoate|Palmityl coenzyme A|CoA, Palmityl|ibofuranosyl]-|CoA, Hexadecanoyl|S-PalmitoylCoA|Coenzyme A, Palmitoyl|S-Palmityl coenzyme A|s-hexadecanoic acid|s-hexadecanoate CoA|Coenzyme A, S-palmitate|Palmityl-Coenzyme A|Hexadecanoyl-coenzyme A|palmitoyl-Coenzyme A|(S)-palmitoyl-CoA|Coenzyme A, palmitate|S-palmitoyl-coenzyme a|COA-PLM|Hexadecanoyl coenzyme A|Coenzyme A S-palmitate|Coenzyme A S-hexadecanoate|S-Hexadecanoylcoenzyme A|Palmitoyl coenzyme A potassium salt|s-hexadecanoate Coenzyme A|Palmitoyl coenzyme A lithium|palmitoyl coenzyme a, k salt|Coenzyme A, palmitate (6CI)|GTPL6765
| Molecular Formula | C37H66N7O17P3S |
|---|---|
| Molecular Weight | 1005.34485 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 34 |
| Exact Mass | 1005.34485 |
| Monoisotopic Mass | 1005.34485 |
| Heavy Atoms | 65 |
| Complexity | 1620.0 |
Chemical Identifiers
| CAS Number | 188174-64-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O |
| InChIKey | MNBKLUUYKPBKDU-BBECNAHFSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
palmitoyl CoA (CAS 188174-64-3), with molecular formula C37H66N7O17P3S and molecular weight 1005.34485 g/mol. IUPAC: 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] hexadecanethioate.