Basic information
- CAS
79494-05-6- Standard SMILES
CCCCCCCC\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)O)[C@@H](O)CCCC(=O)O- InChIKey
KRTWHKZMWCZCIK-VRZYSOTLSA-N- Molecular formula
- C23H39NO5S
- Average molar mass
- 441.6 g/mol
- Monoisotopic mass
- 441.25489452
Overview
Leukotriene E3 is a leukotriene that is leukotriene E4 in which the non-conjugated double bond has been reduced to a single bond. It is a leukotriene, a L-cysteine thioether, a secondary alcohol, an amino dicarboxylic acid and a non-proteinogenic L-alpha-amino acid.
Names & identifiers
- Preferred name
- Leukotriene E3
- IUPAC
- (5S,6R,7E,9E,11Z)-6-[(2R)-2-amino-2-carboxyethyl]sulfanyl-5-hydroxyicosa-7,9,11-trienoic acid
Names & synonyms
Leukotriene E379494-05-614,15-Dihydro-LTE4(5S,6R,7E,9E,11Z)-6-[(2R)-2-amino-2-carboxyethyl]sulfanyl-5-hydroxyicosa-7,9,11-trienoic acid(5S,6R,7E,9E,11Z)-6-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxyicosa-7,9,11-trienoic acidLTE37,9,11-Eicosatrienoic acid, 6-(((2R)-2-amino-2-carboxyethyl)thio)-5-hydroxy-, (5S,6R,7E,9E,11Z)-14,15-dihydro-leukotriene E4SCHEMBL29427928CHEBI:74018DTXSID20136459614,15-Dihydro-LTE4, LTE3
Show more names
LMFA03020074Q27144336(5S,6R,7E,9E,11Z)-6-(L-cystein-S-yl)-5-hydroxyicosa-7,9,11-trienoic acid(5S,6R,7E,9E,11Z)-6-[[(2R)-2-amino-2-carboxyethyl]thio]-5-hydroxy-7,9,11-Eicosatrienoate(5S,6R,7E,9E,11Z)-6-[[(2R)-2-amino-2-carboxyethyl]thio]-5-hydroxy-7,9,11-Eicosatrienoic acid[5S-[5R*,6S*(S*),7E,9E,11Z]]-6-[(2-amino-2-carboxyethyl)thio]-5-hydroxy-7,9,11-Eicosatrienoate[5S-[5R*,6S*(S*),7E,9E,11Z]]-6-[(2-amino-2-carboxyethyl)thio]-5-hydroxy-7,9,11-Eicosatrienoic acid
Database identifiers
- CAS
79494-05-6- PubChem CID
- 6440643
- DTXSID
DTXSID201364596- ChEBI
CHEBI:74018
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 19
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 548
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Leukotrienes [FA0302]
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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