9,13-dihydroxy-12-ethoxy-10-octadecenoic acid (CHEBI:185291)

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CHEBI:185291 - 9,13-dihydroxy-12-ethoxy-10-octadecenoic acid

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ChEBI ID	CHEBI:185291
ChEBI Name	9,13-dihydroxy-12-ethoxy-10-octadecenoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H38O5
Net Charge	0
Average Mass	358.519
Monoisotopic Mass	358.27192
SMILES	CCCCCC(O)C(/C=C/C(O)CCCCCCCC(=O)O)OCC
InChI	InChI=1S/C20H38O5/c1-3-5-9-13-18(22)19(25-4-2)16-15-17(21)12-10-7-6-8-11-14-20(23)24/h15-19,21-22H,3-14H2,1-2H3,(H,23,24)/b16-15+
InChIKey	IEEBTNFNSJRPDT-FOCLMDBBSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	feces (BTO:0000440)	MetaboLights (MTBLS3750)	Strain: C57BL/6 Mouse [NCIT:C14424]

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	9,13-dihydroxy-12-ethoxy-10-octadecenoic acid (CHEBI:185291) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
(E)-12-ethoxy-9,13-dihydroxyoctadec-10-enoic acid

Manual Xrefs	Databases
4446083	ChemSpider
LMFA01050122	LIPID MAPS