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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	5,8,12-trihydroxy-9-octadecenoic acid

ChEBI ID	CHEBI:168756

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H34O5

Net Charge

Average Mass

330.465

Monoisotopic Mass

330.24062

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

SMILES

OC(CCC(O)/C=C/CC(O)CCCCCC)CCCC(O)=O

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	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