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CHEBI:15650 - leukotriene E4

ChEBI IDCHEBI:15650
ChEBI Nameleukotriene E4
Stars
ASCII Nameleukotriene E4
DefinitionA 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).
Secondary ChEBI IDsCHEBI:261, CHEBI:6424, CHEBI:10936, CHEBI:18612, CHEBI:25027, CHEBI:27921
Last Modified9 August 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC23H37NO5S
Net Charge0
Average Mass439.618
Monoisotopic Mass439.23924
SMILESCCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](N)C(=O)O)[C@@H](O)CCCC(=O)O
InChIInChI=1S/C23H37NO5S/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/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1
InChIKeyOTZRAYGBFWZKMX-FRFVZSDQSA-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 E4 (CHEBI:15650) has functional parent icosa-7,9,11,14-tetraenoic acid (CHEBI:36038)
leukotriene E4 (CHEBI:15650) is a L-cysteine thioether (CHEBI:27532)
leukotriene E4 (CHEBI:15650) is a amino dicarboxylic acid (CHEBI:36164)
leukotriene E4 (CHEBI:15650) is a leukotriene (CHEBI:25029)
leukotriene E4 (CHEBI:15650) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
leukotriene E4 (CHEBI:15650) is a secondary alcohol (CHEBI:35681)
leukotriene E4 (CHEBI:15650) is conjugate acid of leukotriene E4(1−) (CHEBI:57462)
Incoming Relation(s)
N-acetylleukotriene E4 (CHEBI:7210) has functional parent leukotriene E4 (CHEBI:15650)
16-carboxy-17,18,19,20-tetranor-leukotriene E3 (CHEBI:74014) has functional parent leukotriene E4 (CHEBI:15650)
16-carboxy-Δ13-17,18,19,20-tetranor-leukotriene E4 (CHEBI:74016) has functional parent leukotriene E4 (CHEBI:15650)
18-carboxy-19,20-dinor-leukotriene E4 (CHEBI:74017) has functional parent leukotriene E4 (CHEBI:15650)
20-carboxyleukotriene E4 (CHEBI:134517) has functional parent leukotriene E4 (CHEBI:15650)
20-hydroxy-leukotriene E4 (CHEBI:28700) has functional parent leukotriene E4 (CHEBI:15650)
20-oxoleukotriene E4 (CHEBI:134513) has functional parent leukotriene E4 (CHEBI:15650)
leukotriene E4 methyl ester (CHEBI:138126) has functional parent leukotriene E4 (CHEBI:15650)
leukotriene E4(1−) (CHEBI:57462) is conjugate base of leukotriene E4 (CHEBI:15650)
IUPAC Names 
(5S,6R,7E,9E,11Z,14Z)-6-(L-cystein-S-yl)-5-hydroxyicosa-7,9,11,14-tetraenoic acid
S-{(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]pentadeca-2,4,6,9-tetraen-1-yl}-L-cysteine
Synonyms  Source
Leukotriene E4KEGG COMPOUND
LTE4KEGG COMPOUND
(7E,9E,11Z,14Z)-(5S,6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-7,9,11,14-tetraenoateKEGG COMPOUND
(7E,9E,11Z,14Z)-(5S,6R)-6-(Cystein-S-yl)-5-hydroxyicosa-7,9,11,14-tetraenoateKEGG COMPOUND
(5S-(5R*,6S*(S*),7E,9E,11Z,14Z))-6-((2-Amino-2-carboxyethyl)thio)-5-hydroxy-7,9,11,14-eicosatetraenoic acidChemIDplus
5S-hydroxy,6R-(S-cysteinyl),7E,9E,11Z,14Z-eicosatetraenoic acidLIPID MAPS
Manual XrefsDatabases
C05952KEGG COMPOUND
LMFA03020002LIPID MAPS
Registry NumbersSources
CAS:75715-89-8ChemIDplus
CAS:75715-89-8KEGG COMPOUND
Citations