EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:63986 - eoxin E4

Default Structure
ChEBI IDCHEBI:63986
ChEBI Nameeoxin E4
Stars
ASCII Nameeoxin E4
DefinitionA leukotriene that is the 14R-(S-cysteinyl),15S-hydroxy derivative of (5Z,8Z,10E,12E)-icosa-7,9,11,14-tetraenoic acid.
Last Modified21 May 2012
Submittermwilliams
DownloadsMolfile
FormulaC23H37NO5S
Net Charge0
Average Mass439.618
Monoisotopic Mass439.23924
SMILESCCCCC[C@H](O)[C@@H](/C=C/C=C/C=C\C/C=C\CCCC(=O)O)SC[C@H](N)C(=O)O
InChIInChI=1S/C23H37NO5S/c1-2-3-12-15-20(25)21(30-18-19(24)23(28)29)16-13-10-8-6-4-5-7-9-11-14-17-22(26)27/h4,6-10,13,16,19-21,25H,2-3,5,11-12,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b6-4-,9-7-,10-8+,16-13+/t19-,20-,21+/m0/s1
InChIKeyJLJNENVYAVKECZ-HRXVJLLUSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
eoxin E4 (CHEBI:63986) has functional parent (5Z,8Z,10E,12E)-icosatetraenoic acid (CHEBI:64014)
eoxin E4 (CHEBI:63986) has role metabolite (CHEBI:25212)
eoxin E4 (CHEBI:63986) is a eoxin (CHEBI:193574)
eoxin E4 (CHEBI:63986) is a leukotriene (CHEBI:25029)
Incoming Relation(s)
eoxin E4(1-) (CHEBI:747194) is conjugate base of eoxin E4 (CHEBI:63986)
IUPAC Names 
(5Z,8Z,10E,12E,14R,15S)-14-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-15-hydroxyicosa-5,8,10,12-tetraenoic acid
S-[(6S,7R,8E,10E,12Z,15Z)-19-carboxy-6-hydroxynonadeca-8,10,12,15-tetraen-7-yl]-L-cysteine
Synonyms  Source
14,15-Leukotriene E4SUBMITTER
14,15-LTE4SUBMITTER
15S-hydroxy,14R-(S-cysteinyl)-5Z,8Z,10E,12E-eicosatetraenoic acidLIPID MAPS
EXE4SUBMITTER
Manual XrefsDatabases
LMFA03020033LIPID MAPS
US2009247634Patent
WO2008001079Patent
Registry NumbersSources
Reaxys:19521974Reaxys