Leukotriene E4

Chemical Information
Leukotriene E4 is a leukotriene that is (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid substituted by a hydroxy group at position 5 (5S) and an L-cystein-S-yl group at position 6 (6R). It is a leukotriene, a L-cysteine thioether, a secondary alcohol, an amino dicarboxylic acid and a non-proteinogenic L-alpha-amino acid. It is functionally related to an icosa-7,9,11,14-tetraenoic acid. It is a conjugate acid of a leukotriene E4(1-).
| CAS Number | 75715-89-8 |
| PubChem CID | 5280879 |
| IUPAC Name | (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-amino-2-carboxyethyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid |
| Molecular Formula | C23H37NO5S |
| Molecular Weight | 439.6 |
| XLogP | 2.1 |
| Topological Polar Surface Area | 146 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 18 |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 586 |
| Property | Value |
|---|---|
| Molecular Weight | 439.6 |
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 18 |
| Exact Mass | 439.23924445 |
| Monoisotopic Mass | 439.23924445 |
| Topological Polar Surface Area | 146 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 586 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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