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:	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. 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