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CHEBI:133433 - 20-oxoleukotriene E4(1−)

ChEBI IDCHEBI:133433
ChEBI Name20-oxoleukotriene E4(1−)
Stars
ASCII Name20-oxoleukotriene E4(1-)
DefinitionA leukotriene anion that is the conjugate base of leukotriene E4 obtained by deprotonation of the two carboxy groups and protonation of the cysteinyl α-amino group; major species at pH 7.3.
Last Modified13 February 2017
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC23H34NO6S
Net Charge-1
Average Mass452.593
Monoisotopic Mass452.21123
SMILES[NH3+][C@@H](CS[C@H](/C=C/C=C/C=C\C/C=C\CCCCC=O)[C@@H](O)CCCC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C23H35NO6S/c24-19(23(29)30)18-31-21(20(26)14-13-16-22(27)28)15-11-9-7-5-3-1-2-4-6-8-10-12-17-25/h2-5,7,9,11,15,17,19-21,26H,1,6,8,10,12-14,16,18,24H2,(H,27,28)(H,29,30)/p-1/b4-2-,5-3-,9-7+,15-11+/t19-,20-,21+/m0/s1
InChIKeyDXFWBOQUFGDWDP-CMJQBAFXSA-M
ChEBI Ontology
Outgoing Relation(s)
20-oxoleukotriene E4(1−) (CHEBI:133433) is a dicarboxylic acid monoanion (CHEBI:35695)
20-oxoleukotriene E4(1−) (CHEBI:133433) is a leukotriene anion (CHEBI:62942)
20-oxoleukotriene E4(1−) (CHEBI:133433) is conjugate base of 20-oxoleukotriene E4 (CHEBI:134513)
Incoming Relation(s)
20-oxoleukotriene E4 (CHEBI:134513) is conjugate acid of 20-oxoleukotriene E4(1−) (CHEBI:133433)
IUPAC Name 
(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanyl}-5-hydroxy-20-oxoicosa-7,9,11,14-tetraenoate
Synonym  Source
20-oxo-LTE4(1−)ChEBI