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CHEBI:74018 - leukotriene E3

ChEBI IDCHEBI:74018
ChEBI Nameleukotriene E3
Stars
ASCII Nameleukotriene E3
DefinitionA leukotriene that is leukotriene E4 in which the non-conjugated double bond has been reduced to a single bond.
Last Modified20 November 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC23H39NO5S
Net Charge0
Average Mass441.634
Monoisotopic Mass441.25489
SMILESCCCCCCCC/C=C\C=C\C=C\[C@@H](SC[C@H](N)C(=O)O)[C@@H](O)CCCC(=O)O
InChIInChI=1S/C23H39NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h9-13,16,19-21,25H,2-8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1
InChIKeyKRTWHKZMWCZCIK-VRZYSOTLSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
leukotriene E3 (CHEBI:74018) is a L-cysteine thioether (CHEBI:27532)
leukotriene E3 (CHEBI:74018) is a amino dicarboxylic acid (CHEBI:36164)
leukotriene E3 (CHEBI:74018) is a leukotriene (CHEBI:25029)
leukotriene E3 (CHEBI:74018) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
leukotriene E3 (CHEBI:74018) is a secondary alcohol (CHEBI:35681)
Incoming Relation(s)
14-carboxy-15,16,17,18,19,20-hexanor-leukotriene E3 (CHEBI:74019) has functional parent leukotriene E3 (CHEBI:74018)
IUPAC Names 
(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]sulfanyl}-5-hydroxyicosa-7,9,11-trienoic acid
Synonyms  Source
14,15-dihydro-leukotriene E4ChEBI
14,15-dihydro-LTE4ChEBI
LTE3ChEBI
Manual XrefsDatabases
HMDB0002355HMDB
Registry NumbersSources
Reaxys:5999071Reaxys
Citations