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

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

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ChEBI ID	CHEBI:167825
ChEBI Name	(+/-)12(13)-DiHOME
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H34O4
Net Charge	0
Average Mass	314.466
Monoisotopic Mass	314.24571
SMILES	CCCCCC(O)C(O)CC=CCCCCCCCC(=O)O
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

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	blood serum (BTO:0000133)	MetaboLights (MTBLS2542)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	(+/-)12(13)-DiHOME (CHEBI:167825) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
12,13-dihydroxyoctadec-9-enoic acid

Manual Xrefs	Databases
21237977	ChemSpider