aspirin-triggered protectin D1 (CHEBI:140202)

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CHEBI:140202 - aspirin-triggered protectin D1

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ChEBI ID	CHEBI:140202
ChEBI Name	aspirin-triggered protectin D1
Stars
Definition	A dihydroxydocosahexaenoic acid that is (4Z,7Z,11E,13E,15Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at positions 10 and 17 (the 10R,17R-stereoisomer).
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@@H](O)/C=C\C=C\C=C\[C@H](O)C/C=C\C/C=C\CCC(=O)O
InChI	InChI=1S/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8+,10-3-,11-6-,17-12-,18-13+/t20-,21-/m1/s1
InChIKey	CRDZYJSQHCXHEG-HBMALMRFSA-N

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:	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. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans.
Applications:	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. anti-inflammatory agent Any compound that has anti-inflammatory effects. neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders.

ChEBI Ontology

Outgoing Relation(s)
	aspirin-triggered protectin D1 (CHEBI:140202) has role anti-inflammatory agent (CHEBI:67079)
	aspirin-triggered protectin D1 (CHEBI:140202) has role human xenobiotic metabolite (CHEBI:76967)
	aspirin-triggered protectin D1 (CHEBI:140202) has role neuroprotective agent (CHEBI:63726)
	aspirin-triggered protectin D1 (CHEBI:140202) has role specialised pro-resolving mediator (CHEBI:140399)
	aspirin-triggered protectin D1 (CHEBI:140202) is a dihydroxydocosahexaenoic acid (CHEBI:137348)
	aspirin-triggered protectin D1 (CHEBI:140202) is a secondary allylic alcohol (CHEBI:134396)
	aspirin-triggered protectin D1 (CHEBI:140202) is conjugate acid of aspirin-triggered protectin D1(1−) (CHEBI:140208)
Incoming Relation(s)
Incoming Relation(s)	aspirin-triggered protectin D1(1−) (CHEBI:140208) is conjugate base of aspirin-triggered protectin D1 (CHEBI:140202)

IUPAC Name
(4Z,7Z,10R,11E,13E,15Z,17R,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid

Synonyms	Source
10(R),17(R)-dihydroxydocosa-4Z,7Z,11E,13E,15Z,19Z-hexaenoic acid	ChEBI
(4Z,7Z,10R,11E,13E,15Z,17R,19Z)-10,17-dihydroxydocosahexaenoic acid	ChEBI
aspirin-triggered neuroprotectin D1	ChEBI
AT-NPD1	ChEBI
AT-(NPD1/PD1)	ChEBI
AT-PD1	ChEBI

Registry Numbers	Sources
Reaxys:22110134	Reaxys

Citations