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CHEBI:134513 - 20-oxoleukotriene E4

ChEBI IDCHEBI:134513
ChEBI Name20-oxoleukotriene E4
Stars
ASCII Name20-oxoleukotriene E4
DefinitionA leukotriene that is leukotriene E4 in which the terminal methyl grop has been oxidised to the corresponding aldehyde
Last Modified13 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC23H35NO6S
Net Charge0
Average Mass453.601
Monoisotopic Mass453.21851
SMILES[H]C(=O)CCCC/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/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)/b4-2-,5-3-,9-7+,15-11+/t19-,20-,21+/m0/s1
InChIKeyDXFWBOQUFGDWDP-CMJQBAFXSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
20-oxoleukotriene E4 (CHEBI:134513) has functional parent leukotriene E4 (CHEBI:15650)
20-oxoleukotriene E4 (CHEBI:134513) is a L-cysteine thioether (CHEBI:27532)
20-oxoleukotriene E4 (CHEBI:134513) is a aldehyde (CHEBI:17478)
20-oxoleukotriene E4 (CHEBI:134513) is a amino dicarboxylic acid (CHEBI:36164)
20-oxoleukotriene E4 (CHEBI:134513) is a leukotriene (CHEBI:25029)
20-oxoleukotriene E4 (CHEBI:134513) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
20-oxoleukotriene E4 (CHEBI:134513) is a secondary alcohol (CHEBI:35681)
20-oxoleukotriene E4 (CHEBI:134513) is conjugate acid of 20-oxoleukotriene E4(1−) (CHEBI:133433)
Incoming Relation(s)
20-oxoleukotriene E4(1−) (CHEBI:133433) is conjugate base of 20-oxoleukotriene E4 (CHEBI:134513)
IUPAC Name 
(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-20-oxoicosa-7,9,11,14-tetraenoic acid
Synonyms  Source
20-oxo-LTE4ChEBI
20-Oxo-leukotriene E4HMDB
6-(S-Cysteinyl)-20-oxo-(5S)-hydroxy-(7E,9E,11Z,14Z)-eicosatetraenoic acidHMDB
Manual XrefsDatabases
HMDB0012642HMDB