EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:74016 - 16-carboxy-Δ13-17,18,19,20-tetranor-leukotriene E4

ChEBI IDCHEBI:74016
ChEBI Name16-carboxy-Δ13-17,18,19,20-tetranor-leukotriene E4
Stars
ASCII Name16-carboxy-Delta(13)-17,18,19,20-tetranor-leukotriene E4
DefinitionAn icosanoid that is leukotriene E4 in which the isolated double bond has migrated into conjugation with the triene moiety and in which four methylene groups have been lost from the resulting carboxyalkyl chain.
Last Modified20 November 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H27NO7S
Net Charge0
Average Mass413.492
Monoisotopic Mass413.15082
SMILES[H]C(=C/C=C\C=C\C=C\[C@@H](SC[C@H](N)C(=O)O)[C@@H](O)CCCC(=O)O)CC(=O)O
InChIInChI=1S/C19H27NO7S/c20-14(19(26)27)13-28-16(15(21)9-8-12-18(24)25)10-6-4-2-1-3-5-7-11-17(22)23/h1-7,10,14-16,21H,8-9,11-13,20H2,(H,22,23)(H,24,25)(H,26,27)/b3-1-,4-2+,7-5?,10-6+/t14-,15-,16+/m0/s1
InChIKeyMAFGRSDWXFSHMK-GHPSTRGMSA-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).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
16-carboxy-Δ13-17,18,19,20-tetranor-leukotriene E4 (CHEBI:74016) has functional parent leukotriene E4 (CHEBI:15650)
16-carboxy-Δ13-17,18,19,20-tetranor-leukotriene E4 (CHEBI:74016) has role metabolite (CHEBI:25212)
16-carboxy-Δ13-17,18,19,20-tetranor-leukotriene E4 (CHEBI:74016) is a L-cysteine thioether (CHEBI:27532)
16-carboxy-Δ13-17,18,19,20-tetranor-leukotriene E4 (CHEBI:74016) is a icosanoid (CHEBI:23899)
16-carboxy-Δ13-17,18,19,20-tetranor-leukotriene E4 (CHEBI:74016) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
16-carboxy-Δ13-17,18,19,20-tetranor-leukotriene E4 (CHEBI:74016) is a secondary alcohol (CHEBI:35681)
16-carboxy-Δ13-17,18,19,20-tetranor-leukotriene E4 (CHEBI:74016) is a tricarboxylic acid (CHEBI:27093)
Incoming Relation(s)
(13E)-16-carboxy-Δ13-17,18,19,20-tetranor-leukotriene E4 (CHEBI:74057) is a 16-carboxy-Δ13-17,18,19,20-tetranor-leukotriene E4 (CHEBI:74016)
IUPAC Names 
(5Z,7E,9E,11R,12S)-11-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-12-hydroxyhexadeca-3,5,7,9-tetraenedioic acid
(5Z,7E,9E,11R,12S)-11-(L-cystein-S-yl)-12-hydroxyhexadeca-3,5,7,9-tetraenedioic acid
Synonyms  Source
16-carboxy-Δ13-17,18,19,20-tetranor-LTE4ChEBI
16-carboxy-Δ13-17,18,19,20-tetranor-LTE4ChEBI
Δ13-16-carboxy-tetranor-LTE4ChEBI
Citations