17 (S) -HDHA

Chemical Information
17(S)-HDoHE is a polyunsaturated fatty acid that is (4Z,7Z,10Z,13Z,15E,19Z)-docosa-4,7,10,13,15,19-hexaenoic acid carrying a hydroxy substituent at the 17S-position. It is a metabolite of docosahexaenoic acid in human blood and mouse brain, and serves as a precursor to 17(S)-resolvins. It has a role as an animal metabolite, a mouse metabolite and a human xenobiotic metabolite. It is an enantiomer of a 17(R)-HDoHE.
| CAS Number | 92693-03-3 |
| PubChem CID | 11046191 |
| IUPAC Name | (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acid |
| Molecular Formula | C22H32O3 |
| Molecular Weight | 344.5 |
| XLogP | 5.1 |
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 14 |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 493 |
| Property | Value |
|---|---|
| Molecular Weight | 344.5 |
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 14 |
| Exact Mass | 344.23514488 |
| Monoisotopic Mass | 344.23514488 |
| Topological Polar Surface Area | 57.5 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 493 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 6 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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