CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 288.8 Ų [M+NH4]+ [CCS Type: TIMS, Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 647.1 g/mol |
|---|---|
| XLogP3 | 15.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 20 |
| Exact Mass | 646.56888160 g/mol |
| Monoisotopic Mass | 646.56888160 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 1060 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Cholesteryl linolenate is a cholesterol ester obtained by the formal condensation of cholesterol with (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid. It has a role as a mouse metabolite. It is functionally related to an alpha-linolenic acid.