15-oxolipoxin A4 (CHEBI:63992)

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CHEBI:63992 - 15-oxolipoxin A₄

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ChEBI ID	CHEBI:63992
ChEBI Name	15-oxolipoxin A₄
Stars
ASCII Name	15-oxolipoxin A4
Definition	A C₂₀ hydroxy fatty acid having (5S)- and (6R)- -hydroxy groups as well as a 15-oxo group and (7E)- (9E)-, (11Z)- and (13E)-double bonds.
Last Modified	5 March 2018
Submitter	mwilliams
Downloads	Molfile

Formula	C20H30O5
Net Charge	0
Average Mass	350.455
Monoisotopic Mass	350.20932
SMILES	CCCCCC(=O)/C=C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)CCCC(=O)O
InChI	InChI=1S/C20H30O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,18-19,22-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t18-,19+/m1/s1
InChIKey	KMQGFEBCBYXSPZ-OABWHSJTSA-N

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:	specialised pro-resolving mediator A class of cell signaling molecules enzymatically derived from n-3 long chain polyunsaturated fatty acids that have important roles in orchestrating the resolution of tissue inflammation.
Application:	specialised pro-resolving mediator A class of cell signaling molecules enzymatically derived from n-3 long chain polyunsaturated fatty acids that have important roles in orchestrating the resolution of tissue inflammation.

ChEBI Ontology

Outgoing Relation(s)
	15-oxolipoxin A₄ (CHEBI:63992) is a hydroxy polyunsaturated fatty acid (CHEBI:140345)
	15-oxolipoxin A₄ (CHEBI:63992) is a lipoxin (CHEBI:6497)
	15-oxolipoxin A₄ (CHEBI:63992) is a long-chain fatty acid (CHEBI:15904)
	15-oxolipoxin A₄ (CHEBI:63992) is a oxo fatty acid (CHEBI:59644)
	15-oxolipoxin A₄ (CHEBI:63992) is conjugate acid of 15-oxolipoxin A₄(1−) (CHEBI:78311)
Incoming Relation(s)
Incoming Relation(s)	15-oxolipoxin A₄(1−) (CHEBI:78311) is conjugate base of 15-oxolipoxin A₄ (CHEBI:63992)

IUPAC Name
(5S,6R,7E,9E,11Z,13E)-5,6-dihydroxy-15-oxoicosa-7,9,11,13-tetraenoic acid

Synonyms	Source
15-oxo-LXA4	LIPID MAPS
15-keto-Lipoxin A4	LIPID MAPS
15-keto-LXA4	LIPID MAPS
15-oxo-5S,6R-dihydroxy-7E,9E,11Z,13E-eicosatetraenoic acid	LIPID MAPS

Manual Xrefs	Databases
LMFA03040009	LIPID MAPS