20-oxoleukotriene B4 (CHEBI:63979)

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CHEBI:63979 - 20-oxoleukotriene B₄

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ChEBI ID	CHEBI:63979
ChEBI Name	20-oxoleukotriene B₄
Stars
ASCII Name	20-oxoleukotriene B4
Definition	A leukotriene that is leukotriene B₄ bearing an additional oxo substituent at position 20.
Last Modified	19 January 2016
Submitter	mwilliams
Downloads	Molfile

Formula	C20H30O5
Net Charge	0
Average Mass	350.455
Monoisotopic Mass	350.20932
SMILES	O=CCCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)O
InChI	InChI=1S/C20H30O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,13-14,17-19,22-23H,1-2,6,10-12,15-16H2,(H,24,25)/b5-4+,7-3-,13-8+,14-9-/t18-,19-/m1/s1
InChIKey	LVLQYGYNBVIONY-PSPARDEHSA-N

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
	20-oxoleukotriene B₄ (CHEBI:63979) has functional parent icosa-6,8,10,14-tetraenoic acid (CHEBI:36045)
	20-oxoleukotriene B₄ (CHEBI:63979) has role metabolite (CHEBI:25212)
	20-oxoleukotriene B₄ (CHEBI:63979) is a dihydroxy monocarboxylic acid (CHEBI:35972)
	20-oxoleukotriene B₄ (CHEBI:63979) is a hydroxyaldehyde (CHEBI:50413)
	20-oxoleukotriene B₄ (CHEBI:63979) is a leukotriene (CHEBI:25029)
	20-oxoleukotriene B₄ (CHEBI:63979) is a long-chain fatty acid (CHEBI:15904)
	20-oxoleukotriene B₄ (CHEBI:63979) is a polyunsaturated fatty acid (CHEBI:26208)
	20-oxoleukotriene B₄ (CHEBI:63979) is a ω-oxo fatty acid (CHEBI:76328)
	20-oxoleukotriene B₄ (CHEBI:63979) is conjugate acid of 20-oxoleukotriene B₄(1−) (CHEBI:90720)
Incoming Relation(s)
Incoming Relation(s)	20-oxoleukotriene B₄(1−) (CHEBI:90720) is conjugate base of 20-oxoleukotriene B₄ (CHEBI:63979)

IUPAC Name
(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-20-oxoicosa-6,8,10,14-tetraenoic acid

Synonyms	Source
20-Aldehyde leukotriene B4	ChemIDplus
20-OXO-LTB4	SUBMITTER
20cho-LTB4	SUBMITTER
Ltb4-20-aldehyde	ChemIDplus
Leukotriene B4-20-aldehyde	ChemIDplus

Registry Numbers	Sources
CAS:115609-68-2	ChemIDplus

Citations