16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoic acid (CHEBI:140266)

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CHEBI:140266 - 16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoic acid

Default Structure

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ChEBI ID	CHEBI:140266
ChEBI Name	16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoic acid
Stars
ASCII Name	16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoic acid
Definition	A dihydroxydocosapentaenoic acid (DiHDPE) that is (7Z,10Z,13E,14E,19Z)-docosapentaenoic acid carrying two hydroxy substituents at the 16 and 17-S positions. It is an intermediate of specialised proresolving mediators.
Last Modified	12 March 2018
Submitter	Bijay
Downloads	Molfile

Formula	C22H34O4
Net Charge	0
Average Mass	362.510
Monoisotopic Mass	362.24571
SMILES	CC/C=C\C[C@H](O)C(O)/C=C/C=C/C=C\C/C=C\CCCCCC(=O)O
InChI	InChI=1S/C22H34O4/c1-2-3-14-17-20(23)21(24)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(25)26/h3,5-8,10,12,14-15,18,20-21,23-24H,2,4,9,11,13,16-17,19H2,1H3,(H,25,26)/b7-5-,8-6-,12-10+,14-3-,18-15+/t20-,21?/m0/s1
InChIKey	HRNHRTOXACGZNE-KXMOHCNRSA-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. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
	16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoic acid (CHEBI:140266) has role human xenobiotic metabolite (CHEBI:76967)
	16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoic acid (CHEBI:140266) has role specialised pro-resolving mediator (CHEBI:140399)
	16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoic acid (CHEBI:140266) is a DiHDPE (CHEBI:72656)
	16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoic acid (CHEBI:140266) is a protectin (CHEBI:193572)
	16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoic acid (CHEBI:140266) is conjugate acid of 16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoate (CHEBI:140406)
Incoming Relation(s)
Incoming Relation(s)	16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoate (CHEBI:140406) is conjugate base of 16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoic acid (CHEBI:140266)

IUPAC Name
(7Z,10Z,12E,14E,17S,19Z)-16,17-dihydroxydocosa-7,10,12,14,19-pentaenoic acid

Synonyms	Source
16,17(S)-dihydroxy-7Z,10Z,13E,14E,19Z-docosapentaenoic acid	ChEBI
16,17(S)-dihydroxy-omega3-docosapentaenoic acid	ChEBI
16,17(S)-dihydroxy-ω3-docosapentaenoic acid	ChEBI
(7Z,10Z,12E,14E,17S,19Z)-16,17-dihydroxydocosapentaenoic acid	ChEBI
(PD)2_{n-3 DPA}	ChEBI
PD2_{n-3 DPA}	SUBMITTER

Registry Numbers	Sources
Reaxys:31878852	Reaxys

Citations