11-hydroperoxy-12,13-epoxy-9-octadecenoic acid (CHEBI:168840)

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CHEBI:168840 - 11-hydroperoxy-12,13-epoxy-9-octadecenoic acid

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ChEBI ID	CHEBI:168840
ChEBI Name	11-hydroperoxy-12,13-epoxy-9-octadecenoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H32O5
Net Charge	0
Average Mass	328.449
Monoisotopic Mass	328.22497
SMILES	CCCCCC1OC1C(/C=C/CCCCCCCC(=O)O)OO
InChI	InChI=1S/C18H32O5/c1-2-3-9-12-15-18(22-15)16(23-21)13-10-7-5-4-6-8-11-14-17(19)20/h10,13,15-16,18,21H,2-9,11-12,14H2,1H3,(H,19,20)/b13-10+
InChIKey	LSLYTZURYMOJBX-JLHYYAGUSA-N

Species of Metabolite	Component	Source	Comments
Malus domestica (ncbitaxon:3750)	exocarp (BTO:0000733)	MetaboLights (MTBLS2384)	Strain: Malus x domestica Borkh. cv. Ruixue

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	11-hydroperoxy-12,13-epoxy-9-octadecenoic acid (CHEBI:168840) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
(E)-11-hydroperoxy-11-(3-pentyloxiran-2-yl)undec-9-enoic acid

Manual Xrefs	Databases
4445989	ChemSpider
LMFA01040011	LIPID MAPS