9,10-epoxy-13-oxo-11-octadecenoic acid (CHEBI:167983)

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CHEBI:167983 - 9,10-epoxy-13-oxo-11-octadecenoic acid

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ChEBI ID	CHEBI:167983
ChEBI Name	9,10-epoxy-13-oxo-11-octadecenoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H30O4
Net Charge	0
Average Mass	310.434
Monoisotopic Mass	310.21441
SMILES	CCCCCC(=O)/C=C/C1OC1CCCCCCCC(=O)O
InChI	InChI=1S/C18H30O4/c1-2-3-7-10-15(19)13-14-17-16(22-17)11-8-5-4-6-9-12-18(20)21/h13-14,16-17H,2-12H2,1H3,(H,20,21)/b14-13+
InChIKey	BJIKXWWZEPAKQC-BUHFOSPRSA-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)
	9,10-epoxy-13-oxo-11-octadecenoic acid (CHEBI:167983) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
8-[3-[(E)-3-oxooct-1-enyl]oxiran-2-yl]octanoic acid

Manual Xrefs	Databases
4446144	ChemSpider
LMFA01070005	LIPID MAPS