CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 370.5 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 370.25079494 g/mol |
| Monoisotopic Mass | 370.25079494 g/mol |
| Topological Polar Surface Area | 54.4 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 704 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 7 |
| 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
3-oxochola-4,6-dien-24-oic acid is a 3-oxo Delta(4)-steroid that is the 3-oxo derivative of chola-4,6-dien-24-oic acid. It has a role as a human metabolite. It is a 3-oxo-Delta(4) steroid and a bile acid. It is functionally related to a chola-4,6-dien-24-oic acid. It is a conjugate acid of a 3-oxochola-4,6-dien-24-oate.