(4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid (CHEBI:72855)

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CHEBI:72855 - (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid

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ChEBI ID	CHEBI:72855
ChEBI Name	(4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid
Stars
ASCII Name	(4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid
Definition	An EpDPE obtained by formal epoxidation of the 16,17-double bond of docosa-4,7,10,13,16,19-hexaenoic acid.
Last Modified	27 February 2018
Submitter	mwilliams
Downloads	Molfile

Formula	C22H32O3
Net Charge	0
Average Mass	344.495
Monoisotopic Mass	344.23514
SMILES	CC/C=C\CC1OC1C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O
InChI	InChI=1S/C22H32O3/c1-2-3-14-17-20-21(25-20)18-15-12-10-8-6-4-5-7-9-11-13-16-19-22(23)24/h3,5-8,11-15,20-21H,2,4,9-10,16-19H2,1H3,(H,23,24)/b7-5-,8-6-,13-11-,14-3-,15-12-
InChIKey	BCTXZWCPBLWCRV-ZYADFMMDSA-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:	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	(4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid (CHEBI:72855) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
	(4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid (CHEBI:72855) has role metabolite (CHEBI:25212)
	(4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid (CHEBI:72855) is a epoxydocosapentaenoic acid (CHEBI:72654)
	(4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid (CHEBI:72855) is conjugate acid of (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoate (CHEBI:133932)
Incoming Relation(s)
	(16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosapentaenoic acid (CHEBI:140224) is a (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid (CHEBI:72855)
	(4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoate (CHEBI:133932) is conjugate base of (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid (CHEBI:72855)

IUPAC Name
(4Z,7Z,10Z,13Z,19Z)-15-{3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}pentadeca-4,7,10,13-tetraenoic acid

Synonyms	Source
16(17)-epoxy-4Z,7Z,10Z,13Z,19Z-docosapentaenoic acid	ChEBI
16,17-EDP	ChEBI
16,17-epoxydocosapentaenoic acid	ChEBI
16(17)-EpDPE	ChEBI

Manual Xrefs	Databases
LMFA04000037	LIPID MAPS

Registry Numbers	Sources
Reaxys:20599774	Reaxys

Citations