(4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid (CHEBI:72653)

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CHEBI:72653 - (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid

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ChEBI ID	CHEBI:72653
ChEBI Name	(4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid
Stars
ASCII Name	(4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid
Definition	An EpDPE obtained by formal epoxidation of the 19,20-double bond of docosa-4,7,10,13,16,19-hexaenoic acid.
Last Modified	30 May 2017
Submitter	mwilliams
Downloads	Molfile

Formula	C22H32O3
Net Charge	0
Average Mass	344.495
Monoisotopic Mass	344.23514
SMILES	CCC1OC1C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O
InChI	InChI=1S/C22H32O3/c1-2-20-21(25-20)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-22(23)24/h3-4,7-10,13-16,20-21H,2,5-6,11-12,17-19H2,1H3,(H,23,24)/b4-3-,9-7-,10-8-,15-13-,16-14-
InChIKey	OSXOPUBJJDUAOJ-MBYQGORISA-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. 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,16Z)-19,20-epoxydocosapentaenoic acid (CHEBI:72653) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
	(4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid (CHEBI:72653) has role human xenobiotic metabolite (CHEBI:76967)
	(4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid (CHEBI:72653) is a epoxydocosapentaenoic acid (CHEBI:72654)
	(4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid (CHEBI:72653) is conjugate acid of (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoate (CHEBI:133931)
Incoming Relation(s)
	(4Z,7Z,10Z,13Z,16Z,19R,20S)-19,20-epoxydocosapentaenoic acid (CHEBI:137154) is a (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid (CHEBI:72653)
	(4Z,7Z,10Z,13Z,16Z,19S,20R)-19,20-epoxydocosapentaenoic acid (CHEBI:137183) is a (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid (CHEBI:72653)
	(4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoate (CHEBI:133931) is conjugate base of (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid (CHEBI:72653)

IUPAC Name
(4Z,7Z,10Z,13Z,16Z)-18-(3-ethyloxiran-2-yl)octadeca-4,7,10,13,16-pentaenoic acid

Synonyms	Source
19,20-epoxydocosapentaenoic acid	ChEBI
19,20-EDP	ChEBI
19(20)-epoxy-4Z,7Z,10Z,13Z,16Z-docosapentaenoic acid	ChEBI
19(20)-EpDPE	ChEBI

Manual Xrefs	Databases
LMFA04000038	LIPID MAPS
HMDB0013620	HMDB

Registry Numbers	Sources
Reaxys:20599773	Reaxys