CHEBI:134513 - 20-oxoleukotriene E4

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ChEBI Name 20-oxoleukotriene E4
ChEBI ID CHEBI:134513
ChEBI ASCII Name 20-oxoleukotriene E4
Definition A leukotriene that is leukotriene E4 in which the terminal methyl grop has been oxidised to the corresponding aldehyde
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H35NO6S
Net Charge 0
Average Mass 453.594
Monoisotopic Mass 453.21851
InChI InChI=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
InChIKey DXFWBOQUFGDWDP-CMJQBAFXSA-N
SMILES C(/C=C\CCCCC(=O)[H])\C=C/C=C/C=C/[C@H]([C@@H](O)CCCC(=O)O)SC[C@H](N)C(=O)O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
20-Oxo-leukotriene E4 HMDB
20-oxo-LTE4 ChEBI
6-(S-Cysteinyl)-20-oxo-(5S)-hydroxy-(7E,9E,11Z,14Z)-eicosatetraenoic acid HMDB
Manual Xref Database
HMDB0012642 HMDB
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Last Modified
13 February 2017