Resolvin E1

Chemical Information
Resolvin E1 is a resolvin that is (6Z,8E,10E,14Z,16E)-icosa-6,8,10,14,16-pentaenoic acid which is substituted at positions 5, 12 and 18 by hydroxy groups (the 5S,12R,18R stereoisomer). It has a role as an anti-inflammatory agent and a human xenobiotic metabolite. It is a resolvin, a hydroxy polyunsaturated fatty acid, a long-chain fatty acid, a triol and a nonclassic icosanoid. It is a conjugate acid of a resolvin E1(1-).
| CAS Number | 552830-51-0 |
| PubChem CID | 10473088 |
| IUPAC Name | (5S,6Z,8E,10E,12R,14Z,16E,18R)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoic acid |
| Molecular Formula | C20H30O5 |
| Molecular Weight | 350.4 |
| XLogP | 2.4 |
| Topological Polar Surface Area | 98 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 13 |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 488 |
| Property | Value |
|---|---|
| Molecular Weight | 350.4 |
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 13 |
| Exact Mass | 350.20932405 |
| Monoisotopic Mass | 350.20932405 |
| Topological Polar Surface Area | 98 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 488 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 5 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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