20-hydroxy-leukotriene E4 (CHEBI:28700)

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CHEBI:28700 - 20-hydroxy-leukotriene E₄

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ChEBI ID	CHEBI:28700
ChEBI Name	20-hydroxy-leukotriene E₄
Stars
ASCII Name	20-hydroxy-leukotriene E4
Secondary ChEBI IDs	CHEBI:1291, CHEBI:11660, CHEBI:19798
Last Modified	20 November 2014
Downloads	Molfile

Formula	C23H37NO6S
Net Charge	0
Average Mass	455.617
Monoisotopic Mass	455.23416
SMILES	N[C@@H](CS[C@H](/C=C/C=C/C=C\C/C=C\CCCCCO)[C@@H](O)CCCC(=O)O)C(=O)O
InChI	InChI=1S/C23H37NO6S/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/h2-5,7,9,11,15,19-21,25-26H,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	BJRMBXPQAMDCMG-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-hydroxy-leukotriene E₄ (CHEBI:28700) has functional parent leukotriene E₄ (CHEBI:15650)
	20-hydroxy-leukotriene E₄ (CHEBI:28700) is a L-cysteine thioether (CHEBI:27532)
	20-hydroxy-leukotriene E₄ (CHEBI:28700) is a amino dicarboxylic acid (CHEBI:36164)
	20-hydroxy-leukotriene E₄ (CHEBI:28700) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
	20-hydroxy-leukotriene E₄ (CHEBI:28700) is a primary alcohol (CHEBI:15734)
	20-hydroxy-leukotriene E₄ (CHEBI:28700) is a secondary alcohol (CHEBI:35681)
	20-hydroxy-leukotriene E₄ (CHEBI:28700) is conjugate acid of 20-hydroxy-leukotriene E₄(1−) (CHEBI:58584)
Incoming Relation(s)
Incoming Relation(s)	20-hydroxy-leukotriene E₄(1−) (CHEBI:58584) is conjugate base of 20-hydroxy-leukotriene E₄ (CHEBI:28700)

IUPAC Names
(5S,6R,7E,9E,11Z,14Z)-6-(cystein-S-yl)-5,20-dihydroxyicosa-7,9,11,14-tetraenoic acid
S-{(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]-15-hydroxypentadeca-2,4,6,9-tetraen-1-yl}-L-cysteine

Synonyms	Source
20-Hydroxy-leukotriene E4	KEGG COMPOUND
20-hydroxy-leukotriene E4	ChEBI
20-OH-LTE4	KEGG COMPOUND
20-OH-Leukotriene E4	KEGG COMPOUND

Manual Xrefs	Databases
C03577	KEGG COMPOUND
LMFA03020025	LIPID MAPS

Registry Numbers	Sources
CAS:111844-33-8	KEGG COMPOUND