9,10-dihydroxy-13-hydroperoxy-11-octadecenoic acid (CHEBI:168173)

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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	9,10-dihydroxy-13-hydroperoxy-11-octadecenoic acid

ChEBI ID	CHEBI:168173

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H34O6

Net Charge

Average Mass

346.464

Monoisotopic Mass

346.23554

InChI

InChI=1S/C18H34O6/c1-2-3-7-10-15(24-23)13-14-17(20)16(19)11-8-5-4-6-9-12-18(21)22/h13-17,19-20,23H,2-12H2,1H3,(H,21,22)/b14-13+

InChIKey

OMGHMRGMXCUWQA-BUHFOSPRSA-N

SMILES

OC(CCCCCCCC(O)=O)C(O)/C=C/C(OO)CCCCC

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	9,10-dihydroxy-13-hydroperoxy-11-octadecenoic acid (CHEBI:168173) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

(E)-13-hydroperoxy-9,10-dihydroxyoctadec-11-enoic acid