18-carboxy-19,20-dinor-leukotriene E4 (CHEBI:74017)

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CHEBI:74017 - 18-carboxy-19,20-dinor-leukotriene E₄

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ChEBI ID	CHEBI:74017
ChEBI Name	18-carboxy-19,20-dinor-leukotriene E₄
Stars
ASCII Name	18-carboxy-19,20-dinor-leukotriene E4
Definition	An icosanoid that is leukotriene E₄ in which two methylene groups are removed from the carboxyalkyl chain attached to the non-conjugated double bond.
Last Modified	20 November 2014
Submitter	Gareth Owen
Downloads	Molfile

Formula	C21H31NO7S
Net Charge	0
Average Mass	441.546
Monoisotopic Mass	441.18212
SMILES	[H][C@](N)(CS[C@H](/C=C/C=C/C=C\C/C=C\CCC(=O)O)[C@@H](O)CCCC(=O)O)C(=O)O
InChI	InChI=1S/C21H31NO7S/c22-16(21(28)29)15-30-18(17(23)11-10-14-20(26)27)12-8-6-4-2-1-3-5-7-9-13-19(24)25/h1-2,4-8,12,16-18,23H,3,9-11,13-15,22H2,(H,24,25)(H,26,27)(H,28,29)/b2-1-,6-4+,7-5-,12-8+/t16-,17-,18+/m0/s1
InChIKey	OXCSBZDIZXLXRX-AVYHYKEVSA-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)
	18-carboxy-19,20-dinor-leukotriene E₄ (CHEBI:74017) has functional parent leukotriene E₄ (CHEBI:15650)
	18-carboxy-19,20-dinor-leukotriene E₄ (CHEBI:74017) has role metabolite (CHEBI:25212)
	18-carboxy-19,20-dinor-leukotriene E₄ (CHEBI:74017) is a L-cysteine thioether (CHEBI:27532)
	18-carboxy-19,20-dinor-leukotriene E₄ (CHEBI:74017) is a icosanoid (CHEBI:23899)
	18-carboxy-19,20-dinor-leukotriene E₄ (CHEBI:74017) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
	18-carboxy-19,20-dinor-leukotriene E₄ (CHEBI:74017) is a secondary alcohol (CHEBI:35681)
	18-carboxy-19,20-dinor-leukotriene E₄ (CHEBI:74017) is a tricarboxylic acid (CHEBI:27093)

IUPAC Names
(4Z,7Z,9E,11E,13R,14S)-13-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-14-hydroxyoctadeca-4,7,9,11-tetraenedioic acid
(4Z,7Z,9E,11E,13R,14S)-13-(L-cystein-S-yl)-14-hydroxyoctadeca-4,7,9,11-tetraenedioic acid

Synonyms	Source
18-carboxy-dinor-leukotriene E₄	ChEBI
18-carboxy-19,20-dinor-LTE4	ChEBI
18-carboxy-dinor-LTE4	HMDB
18-carboxy-19,20-dinor-LTE₄	ChEBI
18-carboxy-dinor-LTE₄	ChEBI

Manual Xrefs	Databases
HMDB0012607	HMDB

Registry Numbers	Sources
Reaxys:4588801	Reaxys

Citations