20-hydroxy-20-oxoleukotriene B4 (CHEBI:27562)

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CHEBI:27562 - 20-hydroxy-20-oxoleukotriene B₄

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ChEBI ID	CHEBI:27562
ChEBI Name	20-hydroxy-20-oxoleukotriene B₄
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ASCII Name	20-hydroxy-20-oxoleukotriene B4
Definition	A member of the class of leukotrienes that is leukotriene B₄ in which the terminal methyl group has undergone formal oxidation to the corresponding carboxylic acid.
Secondary ChEBI IDs	CHEBI:1289, CHEBI:19794
Last Modified	8 June 2017
Downloads	Molfile

Formula	C20H30O6
Net Charge	0
Average Mass	366.454
Monoisotopic Mass	366.20424
SMILES	O=C(O)CCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O
InChI	InChI=1S/C20H30O6/c21-17(11-6-2-1-3-9-15-19(23)24)12-7-4-5-8-13-18(22)14-10-16-20(25)26/h2,4-8,12-13,17-18,21-22H,1,3,9-11,14-16H2,(H,23,24)(H,25,26)/b5-4+,6-2-,12-7+,13-8-/t17-,18-/m1/s1
InChIKey	SXWGPVJGNOLNHT-VFLUTPEKSA-N

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:	human blood serum metabolite Any metabolite (endogenous or exogenous) found in human blood serum samples. human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples.

ChEBI Ontology

Outgoing Relation(s)
	20-hydroxy-20-oxoleukotriene B₄ (CHEBI:27562) has functional parent leukotriene B₄ (CHEBI:15647)
	20-hydroxy-20-oxoleukotriene B₄ (CHEBI:27562) has role human blood serum metabolite (CHEBI:85234)
	20-hydroxy-20-oxoleukotriene B₄ (CHEBI:27562) has role human urinary metabolite (CHEBI:84087)
	20-hydroxy-20-oxoleukotriene B₄ (CHEBI:27562) is a hydroxy carboxylic acid (CHEBI:24669)
	20-hydroxy-20-oxoleukotriene B₄ (CHEBI:27562) is a leukotriene (CHEBI:25029)
	20-hydroxy-20-oxoleukotriene B₄ (CHEBI:27562) is a α,ω-dicarboxylic acid (CHEBI:28383)
	20-hydroxy-20-oxoleukotriene B₄ (CHEBI:27562) is conjugate acid of 20-hydroxy-20-oxoleukotriene B₄(2−) (CHEBI:90722)
Incoming Relation(s)
	20-hydroxy-20-oxoleukotriene B₄-20-(β-D-glucuronide) (CHEBI:137383) has functional parent 20-hydroxy-20-oxoleukotriene B₄ (CHEBI:27562)
	20-hydroxy-20-oxoleukotriene B₄(2−) (CHEBI:90722) is conjugate base of 20-hydroxy-20-oxoleukotriene B₄ (CHEBI:27562)

IUPAC Name
(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenedioic acid

Synonyms	Source
20-COOH-Leukotriene B4	KEGG COMPOUND
20-COOH-LTB4	KEGG COMPOUND
5,12-Dihydroxy-delta5,8,11,14-eicosapolyendioic acid	KEGG COMPOUND
20-Carboxy-leukotriene B4	KEGG COMPOUND
20-carboxy-LTB4	LIPID MAPS

Manual Xrefs	Databases
C05950	KEGG COMPOUND
LMFA03020016	LIPID MAPS

Registry Numbers	Sources
CAS:80434-82-8	ChemIDplus