9,10,18-TriHOME(12) (CHEBI:185042)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:185042 - 9,10,18-TriHOME(12)

Take structure to advanced search

ChEBI ID	CHEBI:185042
ChEBI Name	9,10,18-TriHOME(12)
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H34O5
Net Charge	0
Average Mass	330.465
Monoisotopic Mass	330.24062
SMILES	O=C(O)CCCCCCCC(O)C(O)C/C=C/CCCCCO
InChI	InChI=1S/C18H34O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h4,8,16-17,19-21H,1-3,5-7,9-15H2,(H,22,23)/b8-4+
InChIKey	NFBTXRAFZLIQAU-XBXARRHUSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	feces (BTO:0000440)	MetaboLights (MTBLS3750)	Strain: C57BL/6 Mouse [NCIT:C14424]

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	9,10,18-TriHOME(12) (CHEBI:185042) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
(E)-9,10,18-trihydroxyoctadec-12-enoic acid

Manual Xrefs	Databases
4472303	ChemSpider
LMFA02000222	LIPID MAPS