1264-52-4
Product Name:
Octanoyl coenzyme A
Formula:
C29H50N7O17P3S
Synonyms:
Capryloyl coenzyme A lithium salt hydrate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 268.72 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 893.7 g/mol |
|---|---|
| XLogP3 | -2.6 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 26 |
| Exact Mass | 893.21967532 g/mol |
| Monoisotopic Mass | 893.21967532 g/mol |
| Topological Polar Surface Area | 389 Ų |
| Heavy Atom Count | 57 |
| Formal Charge | 0 |
| Complexity | 1480 |
| 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
Octanoyl-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 octanoic acid. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is functionally related to an octanoic acid. It is a conjugate acid of an octanoyl-CoA(4-).