(+/-)12(13)-DiHOME (CHEBI:167825)

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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	(+/-)12(13)-DiHOME

ChEBI ID	CHEBI:167825

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H34O4

Net Charge

Average Mass

314.466

Monoisotopic Mass

314.24571

InChI

InChI=1S/C18H34O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16-17,19-20H,2-7,9-10,12-15H2,1H3,(H,21,22)

InChIKey

CQSLTKIXAJTQGA-UHFFFAOYSA-N

SMILES

OC(CCCCC)C(O)CC=CCCCCCCCC(O)=O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood serum (BTO:0000133). 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	(+/-)12(13)-DiHOME (CHEBI:167825) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

12,13-dihydroxyoctadec-9-enoic acid