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CHEBI:72779 - 11-trans-LTE4

Default Structure
ChEBI IDCHEBI:72779
ChEBI Name11-trans-LTE4
Stars
ASCII Name11-trans-LTE4
DefinitionA leukotriene that is the 11-trans-isomer of leukotriene E4.
Last Modified13 October 2014
Submittermwilliams
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-DVFCZEDWSA-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)
11-trans-LTE4 (CHEBI:72779) has functional parent icosa-7,9,11,14-tetraenoic acid (CHEBI:36038)
11-trans-LTE4 (CHEBI:72779) has role metabolite (CHEBI:25212)
11-trans-LTE4 (CHEBI:72779) is a leukotriene (CHEBI:25029)
Incoming Relation(s)
11-trans-Leukotriene E4(1-) (CHEBI:747195) is conjugate base of 11-trans-LTE4 (CHEBI:72779)
IUPAC Name 
(5S,6R,7E,9E,11E,14Z)-6-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Synonyms  Source
11-trans-Leukotriene E4LIPID MAPS
11-trans-LTE4LIPID MAPS
11t-LTE4ChEBI
5S-hydroxy-6R-(S-cysteinyl)-7E,9E,11E,14Z-eicosatetraenoic acidLIPID MAPS
Manual XrefsDatabases
LMFA03020022LIPID MAPS
Citations