resolvin D3 (CHEBI:138648)

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CHEBI:138648 - resolvin D3

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ChEBI ID	CHEBI:138648
ChEBI Name	resolvin D3
Stars
Definition	A member of the class of resolvins that is (5Z,7E,9E,13Z,15E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 4, 11 and 17 (the 4S,11R,17S-stereoisomer).
Last Modified	5 March 2018
Submitter	Bijay
Downloads	Molfile

Formula	C22H32O5
Net Charge	0
Average Mass	376.493
Monoisotopic Mass	376.22497
SMILES	CC/C=C\C[C@H](O)/C=C/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCC(=O)O
InChI	InChI=1S/C22H32O5/c1-2-3-7-12-19(23)14-10-6-11-15-20(24)13-8-4-5-9-16-21(25)17-18-22(26)27/h3-11,13-14,16,19-21,23-25H,2,12,15,17-18H2,1H3,(H,26,27)/b5-4+,7-3-,11-6-,13-8+,14-10+,16-9-/t19-,20-,21+/m0/s1
InChIKey	QBTJOLCUKWLTIC-UZAFJXHNSA-N

Roles Classification

Chemical Roles:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). 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.

ChEBI Ontology

Outgoing Relation(s)
	resolvin D3 (CHEBI:138648) has role anti-inflammatory agent (CHEBI:67079)
	resolvin D3 (CHEBI:138648) has role human xenobiotic metabolite (CHEBI:76967)
	resolvin D3 (CHEBI:138648) is a hydroxy polyunsaturated fatty acid (CHEBI:140345)
	resolvin D3 (CHEBI:138648) is a resolvin (CHEBI:132120)
	resolvin D3 (CHEBI:138648) is a secondary allylic alcohol (CHEBI:134396)
	resolvin D3 (CHEBI:138648) is a triol (CHEBI:27136)

IUPAC Name
(4S,5Z,7E,9E,11R,13Z,15E,17S,19Z)-4,11,17-trihydroxydocosa-5,7,9,13,15,19-hexaenoic acid

Synonyms	Source
RvD3	SUBMITTER
(4S,5Z,7E,9E,11R,13Z,15E,17S,19Z)-4,11,17-trihydroxydocosahexaenoic acid	ChEBI

Manual Xrefs	Databases
CPD66-81	MetaCyc

Registry Numbers	Sources
Reaxys:23608061	Reaxys

Citations