9,12-dimethoxy-13-hydroxy-10-octadecenoic acid (CHEBI:185229)

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CHEBI:185229 - 9,12-dimethoxy-13-hydroxy-10-octadecenoic acid

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ChEBI ID	CHEBI:185229
ChEBI Name	9,12-dimethoxy-13-hydroxy-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(CCCCCCCC(=O)O)OC)OC
InChI	InChI=1S/C20H38O5/c1-4-5-9-13-18(21)19(25-3)16-15-17(24-2)12-10-7-6-8-11-14-20(22)23/h15-19,21H,4-14H2,1-3H3,(H,22,23)/b16-15+
InChIKey	NMFUHXXKMLKRGE-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)
	9,12-dimethoxy-13-hydroxy-10-octadecenoic acid (CHEBI:185229) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
(E)-13-hydroxy-9,12-dimethoxyoctadec-10-enoic acid

Manual Xrefs	Databases
4446152	ChemSpider
LMFA01080005	LIPID MAPS