16-carboxy-17,18,19,20-tetranor-leukotriene E3 (CHEBI:74014)

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CHEBI:74014 - 16-carboxy-17,18,19,20-tetranor-leukotriene E₃

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ChEBI ID	CHEBI:74014
ChEBI Name	16-carboxy-17,18,19,20-tetranor-leukotriene E₃
Stars
ASCII Name	16-carboxy-17,18,19,20-tetranor-leukotriene E3
Definition	An icosanoid that is leukotriene E₄ in which the non-conjugated double bond has been reduced to a single bond and four methylene groups have been lost from the resulting carboxyalkyl chain.
Secondary ChEBI ID	CHEBI:74022
Last Modified	20 November 2014
Submitter	Gareth Owen
Downloads	Molfile

Formula	C19H29NO7S
Net Charge	0
Average Mass	415.508
Monoisotopic Mass	415.16647
SMILES	N[C@@H](CS[C@H](/C=C/C=C/C=C\CCCC(=O)O)[C@@H](O)CCCC(=O)O)C(=O)O
InChI	InChI=1S/C19H29NO7S/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/h1-4,6,10,14-16,21H,5,7-9,11-13,20H2,(H,22,23)(H,24,25)(H,26,27)/b3-1-,4-2+,10-6+/t14-,15-,16+/m0/s1
InChIKey	LDJCPGIDJQSRGG-XFJBKEMKSA-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-17,18,19,20-tetranor-leukotriene E₃ (CHEBI:74014) has functional parent leukotriene E₄ (CHEBI:15650)
	16-carboxy-17,18,19,20-tetranor-leukotriene E₃ (CHEBI:74014) has role metabolite (CHEBI:25212)
	16-carboxy-17,18,19,20-tetranor-leukotriene E₃ (CHEBI:74014) is a L-cysteine thioether (CHEBI:27532)
	16-carboxy-17,18,19,20-tetranor-leukotriene E₃ (CHEBI:74014) is a icosanoid (CHEBI:23899)
	16-carboxy-17,18,19,20-tetranor-leukotriene E₃ (CHEBI:74014) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
	16-carboxy-17,18,19,20-tetranor-leukotriene E₃ (CHEBI:74014) is a secondary alcohol (CHEBI:35681)
	16-carboxy-17,18,19,20-tetranor-leukotriene E₃ (CHEBI:74014) is a tricarboxylic acid (CHEBI:27093)

IUPAC Names
(5Z,7E,9E,11R,12S)-11-(L-cystein-S-yl)-12-hydroxyhexadeca-5,7,9-trienedioic acid
(5Z,7E,9E,11R,12S)-11-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-12-hydroxyhexadeca-5,7,9-trienedioic acid

Synonyms	Source
15-carboxy-14,15-dihydro-16,17,18,19,20-pentanor-leukotriene E₄	ChEBI
16-carboxy-14,15-dihydro-17,18,19,20-tetranor-LTE4	ChEBI
16-carboxy-14,15-dihydro-17,18,19,20-tetranor-LTE₄	ChEBI
16-carboxy-tetranor-LTE₃	ChEBI
16-carboxy-tetranor-LTE3	ChEBI
16-carboxy-tetranor-leukotriene E₃	ChEBI

Registry Numbers	Sources
Reaxys:4577467	Reaxys
CAS:122069-63-0	Reaxys

Citations