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CHEBI:133439 - 20-carboxyleukotriene E4(2−)

ChEBI IDCHEBI:133439
ChEBI Name20-carboxyleukotriene E4(2−)
Stars
ASCII Name20-carboxyleukotriene E4(2-)
DefinitionA leukotriene anion obtained by deprotonation of the three carboxy groups and protonation of the cysteinyl α-amino group of 20-carboxyleukotriene E4; major species at pH 7.3.
Last Modified13 February 2017
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC23H33NO7S
Net Charge-2
Average Mass467.584
Monoisotopic Mass467.19887
SMILES[NH3+][C@@H](CS[C@H](/C=C/C=C/C=C\C/C=C\CCCCC(=O)[O-])[C@@H](O)CCCC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C23H35NO7S/c24-18(23(30)31)17-32-20(19(25)13-12-16-22(28)29)14-10-8-6-4-2-1-3-5-7-9-11-15-21(26)27/h2-6,8,10,14,18-20,25H,1,7,9,11-13,15-17,24H2,(H,26,27)(H,28,29)(H,30,31)/p-2/b4-2-,5-3-,8-6+,14-10+/t18-,19-,20+/m0/s1
InChIKeyHVLRBLGTGJGVCX-SKJZCNKWSA-L
ChEBI Ontology
Outgoing Relation(s)
20-carboxyleukotriene E4(2−) (CHEBI:133439) is a leukotriene anion (CHEBI:62942)
20-carboxyleukotriene E4(2−) (CHEBI:133439) is a tricarboxylic acid dianion (CHEBI:36300)
20-carboxyleukotriene E4(2−) (CHEBI:133439) is conjugate base of 20-carboxyleukotriene E4 (CHEBI:134517)
Incoming Relation(s)
20-carboxyleukotriene E4 (CHEBI:134517) is conjugate acid of 20-carboxyleukotriene E4(2−) (CHEBI:133439)
IUPAC Name 
(6Z,9Z,11E,13E,15R,16S)-15-{[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanyl}-16-hydroxyicosa-6,9,11,13-tetraenedioate
Synonyms  Source
20-carboxy-leukotriene E4(2−)ChEBI
20-COOH-leukotriene E4(2−)ChEBI
20-carboxy-LTE4(2−)ChEBI