Lauroyl-coenzyme A

Chemical Information
Lauroyl-CoA is a medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of lauric (dodecanoic) acid. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a saturated fatty acyl-CoA and a medium-chain fatty acyl-CoA. It is functionally related to a dodecanoic acid. It is a conjugate acid of a lauroyl-CoA(4-).
| CAS Number | 6244-92-4 |
| PubChem CID | 165436 |
| 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] dodecanethioate |
| Molecular Formula | C33H58N7O17P3S |
| Molecular Weight | 949.8 |
| XLogP | -0.5 |
| Topological Polar Surface Area | 389 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 30 |
| Heavy Atom Count | 61 |
| Formal Charge | 0 |
| Complexity | 1550 |
| Property | Value |
|---|---|
| Molecular Weight | 949.8 |
| XLogP3 | -0.5 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 30 |
| Exact Mass | 949.28227557 |
| Monoisotopic Mass | 949.28227557 |
| Topological Polar Surface Area | 389 Ų |
| Heavy Atom Count | 61 |
| Formal Charge | 0 |
| Complexity | 1550 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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