CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Collision Cross Section | 184.2 Ų [M+H]+ [CCS Type: DT, Method: stepped-field] |
COMPUTED DESCRIPTORS
| Molecular Weight | 294.4 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 14 |
| Exact Mass | 294.21949481 g/mol |
| Monoisotopic Mass | 294.21949481 g/mol |
| Topological Polar Surface Area | 54.4 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 329 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
9-oxo-ODE is an oxooctadecadienoic acid that consists of (10E,12Z)-octadecadienoic acid with the oxo substituent located at position 9. It has a role as a metabolite. It is an oxooctadecadienoic acid and an enone. It is functionally related to a 9-HODE. It is a conjugate acid of a 9-oxo-ODE(1-).