CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 277 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 921.8 g/mol |
|---|---|
| XLogP3 | -1.6 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 28 |
| Exact Mass | 921.25097545 g/mol |
| Monoisotopic Mass | 921.25097545 g/mol |
| Topological Polar Surface Area | 389 Ų |
| Heavy Atom Count | 59 |
| Formal Charge | 0 |
| Complexity | 1520 |
| 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 |
PRODUCT INTRODUCTION
description
Decanoyl-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 decanoic acid. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is functionally related to a decanoic acid and a coenzyme A. It is a conjugate acid of a decanoyl-CoA(4-).