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CHEBI:134517 - 20-carboxyleukotriene E4

ChEBI IDCHEBI:134517
ChEBI Name20-carboxyleukotriene E4
Stars
ASCII Name20-carboxyleukotriene E4
DefinitionA leukotriene that is leukotriene E4 in which the terminal methyl grop has been oxidised to the corresponding carboxylic acid.
Last Modified13 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC23H35NO7S
Net Charge0
Average Mass469.600
Monoisotopic Mass469.21342
SMILESN[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)/b4-2-,5-3-,8-6+,14-10+/t18-,19-,20+/m0/s1
InChIKeyHVLRBLGTGJGVCX-SKJZCNKWSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
20-carboxyleukotriene E4 (CHEBI:134517) has functional parent leukotriene E4 (CHEBI:15650)
20-carboxyleukotriene E4 (CHEBI:134517) is a L-cysteine thioether (CHEBI:27532)
20-carboxyleukotriene E4 (CHEBI:134517) is a leukotriene (CHEBI:25029)
20-carboxyleukotriene E4 (CHEBI:134517) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
20-carboxyleukotriene E4 (CHEBI:134517) is a secondary alcohol (CHEBI:35681)
20-carboxyleukotriene E4 (CHEBI:134517) is a tricarboxylic acid (CHEBI:27093)
20-carboxyleukotriene E4 (CHEBI:134517) is conjugate acid of 20-carboxyleukotriene E4(2−) (CHEBI:133439)
Incoming Relation(s)
20-carboxyleukotriene E4(2−) (CHEBI:133439) is conjugate base of 20-carboxyleukotriene E4 (CHEBI:134517)
IUPAC Name 
(6Z,9Z,11E,13E,15R,16S)-15-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-16-hydroxyicosa-6,9,11,13-tetraenedioic acid
Synonyms  Source
20-carboxy-leukotriene E4ChEBI
20-carboxy-LTE4ChEBI
20-COOH-leukotriene E4ChEBI
20-COOH-LTE4HMDB
6-(S-Cysteinyl)-(5S)-hydroxy-(7E,9E,11Z,14Z)-eicosatetraenedioic acidHMDB
Manual XrefsDatabases
HMDB0012634HMDB