7S,8S-epoxy-17R-hydroxydocosahexaenoic acid (CHEBI:138613)

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CHEBI:138613 - 7S,8S-epoxy-17R-hydroxydocosahexaenoic acid

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ChEBI ID	CHEBI:138613
ChEBI Name	7S,8S-epoxy-17R-hydroxydocosahexaenoic acid
Stars
ASCII Name	7S,8S-epoxy-17R-hydroxydocosahexaenoic acid
Definition	A hydroxydocosahexaenoic acid that is (4Z,9E,11E,13Z,15E,19Z)-docosa-4,9,11,13,15,19-hexaenoic acid carrying an epoxy group at position 7S and a hydroxy group at position 17R. It is a metabolite of docosahexaenoic acid, and serves as a precursor to D-resolvins.
Last Modified	16 October 2019
Submitter	Bijay
Downloads	Molfile

Formula	C22H30O4
Net Charge	0
Average Mass	358.478
Monoisotopic Mass	358.21441
SMILES	CC/C=C\C[C@@H](O)/C=C/C=C\C=C\C=C\[C@@H]1O[C@H]1C/C=C\CCC(=O)O
InChI	InChI=1S/C22H30O4/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20-21(26-20)17-12-8-13-18-22(24)25/h3-12,15-16,19-21,23H,2,13-14,17-18H2,1H3,(H,24,25)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20+,21+/m1/s1
InChIKey	BOFBVWROGCPAFH-ZIXRSAMDSA-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)
	7S,8S-epoxy-17R-hydroxydocosahexaenoic acid (CHEBI:138613) has role metabolite (CHEBI:25212)
	7S,8S-epoxy-17R-hydroxydocosahexaenoic acid (CHEBI:138613) is a epoxy fatty acid (CHEBI:61498)
	7S,8S-epoxy-17R-hydroxydocosahexaenoic acid (CHEBI:138613) is a hydroxydocosahexaenoic acid (CHEBI:72790)

IUPAC Name
(4Z)-6-{(2S,3S)-3-[(1E,3E,5Z,7E,9R,11Z)-9-hydroxytetradeca-1,3,5,7,11-pentaen-1-yl]oxiran-2-yl}hex-4-enoic acid

Synonyms	Source
(7S,8S)-epoxy-17(R)-HDHA	ChEBI
7S,8S-epoxy-17R-HDHA	LIPID MAPS
7S,8S-epoxy-17R-hydroxy-4Z,9E,11E,13Z,15E,19Z-docosahexaenoic acid	LIPID MAPS
7S,8S-epoxy-17R-hydroxydocosahexaenoic acid	ChEBI
7S,8S-epoxy-17R-hydroxy-DHA	ChEBI
7S,8-epoxy-17R-HDHA	ChEBI

Manual Xrefs	Databases
LMFA04000073	LIPID MAPS

Citations