12,13,15-trihydroxy-9E-octadecenoic acid (CHEBI:187093)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187093 - 12,13,15-trihydroxy-9E-octadecenoic acid

Take structure to advanced search

ChEBI ID	CHEBI:187093
ChEBI Name	12,13,15-trihydroxy-9E-octadecenoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H34O5
Net Charge	0
Average Mass	330.465
Monoisotopic Mass	330.24062
SMILES	CCCC(O)CC(O)C(O)C/C=C/CCCCCCCC(=O)O
InChI	InChI=1S/C18H34O5/c1-2-11-15(19)14-17(21)16(20)12-9-7-5-3-4-6-8-10-13-18(22)23/h7,9,15-17,19-21H,2-6,8,10-14H2,1H3,(H,22,23)/b9-7+
InChIKey	ZGSOWLLPRXIOOF-VQHVLOKHSA-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)
	12,13,15-trihydroxy-9E-octadecenoic acid (CHEBI:187093) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
(E)-12,13,15-trihydroxyoctadec-9-enoic acid

Manual Xrefs	Databases
28287565	ChemSpider
LMFA01050555	LIPID MAPS