COMPUTED DESCRIPTORS
| Molecular Weight | 336.5 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 14 |
| Exact Mass | 336.23005950 g/mol |
| Monoisotopic Mass | 336.23005950 g/mol |
| Topological Polar Surface Area | 77.8 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 421 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
8(S),15(S)-DiHETE is ab 8,15-DiHETE that is derived from (5Z,9E,11Z,13E)-icosatetraenoic acid and has (8S,15S)-stereochemistry. It has a role as a human xenobiotic metabolite and a mouse metabolite. It is functionally related to an arachidonic acid. It is a conjugate acid of an 8(S),15(S)-DiHETE(1-).