5,8,12-trihydroxy-9-octadecenoic acid (CHEBI:168756)

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CHEBI:168756 - 5,8,12-trihydroxy-9-octadecenoic acid

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ChEBI ID	CHEBI:168756
ChEBI Name	5,8,12-trihydroxy-9-octadecenoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H34O5
Net Charge	0
Average Mass	330.465
Monoisotopic Mass	330.24062
SMILES	CCCCCCC(O)C/C=C/C(O)CCC(O)CCCC(=O)O
InChI	InChI=1S/C18H34O5/c1-2-3-4-5-8-15(19)9-6-10-16(20)13-14-17(21)11-7-12-18(22)23/h6,10,15-17,19-21H,2-5,7-9,11-14H2,1H3,(H,22,23)/b10-6+
InChIKey	LGADJSRSYLFTSG-UXBLZVDNSA-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)
	5,8,12-trihydroxy-9-octadecenoic acid (CHEBI:168756) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
(E)-5,8,12-trihydroxyoctadec-9-enoic acid

Manual Xrefs	Databases
4472302	ChemSpider
HMDB0030936	HMDB
LMFA01050336	LIPID MAPS