(7R,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid (CHEBI:138249)

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CHEBI:138249 - (7R,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid

Default Structure

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ChEBI ID	CHEBI:138249
ChEBI Name	(7R,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid
Stars
ASCII Name	(7R,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid
Definition	A dihydroxydocosahexaenoic acid that is (4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 7R- and 14S-positions.
Last Modified	9 March 2018
Submitter	Steve
Downloads	Molfile

Formula	C22H32O4
Net Charge	0
Average Mass	360.494
Monoisotopic Mass	360.23006
SMILES	CC/C=C\C/C=C\C[C@H](O)/C=C\C=C\C=C\[C@H](O)C/C=C\CCC(=O)O
InChI	InChI=1S/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/b4-3-,8-7+,10-6-,13-9-,16-11-,17-12+/t20-,21-/m0/s1
InChIKey	HLHYXXBCQOUTGK-FHCQLJOMSA-N

Wikipedia

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:	human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. 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.
Applications:	anti-inflammatory agent Any compound that has anti-inflammatory effects. 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. hepatoprotective agent Any compound that is able to prevent damage to the liver.

ChEBI Ontology

Outgoing Relation(s)
	(7R,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid (CHEBI:138249) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
	(7R,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid (CHEBI:138249) has role anti-inflammatory agent (CHEBI:67079)
	(7R,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid (CHEBI:138249) has role hepatoprotective agent (CHEBI:62868)
	(7R,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid (CHEBI:138249) has role human xenobiotic metabolite (CHEBI:76967)
	(7R,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid (CHEBI:138249) has role specialised pro-resolving mediator (CHEBI:140399)
	(7R,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid (CHEBI:138249) is a dihydroxydocosahexaenoic acid (CHEBI:137348)
	(7R,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid (CHEBI:138249) is a secondary allylic alcohol (CHEBI:134396)

IUPAC Name
(4Z,7R,8E,10E,12Z,14S,16Z,19Z)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid

Synonyms	Source
(4Z,7R,8E,10E,12Z,14S,16Z,19Z)-7,14-dihydroxydocosahexaenoic acid	ChEBI
MaR1	ChEBI
maresin 1	ChEBI

Manual Xrefs	Databases
Maresin	Wikipedia

Registry Numbers	Sources
Reaxys:21813987	Reaxys

Citations