2-(5-hexadecylfuran-2-yl)-acetic acid (CHEBI:187337)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187337 - 2-(5-hexadecylfuran-2-yl)-acetic acid

Take structure to advanced search

ChEBI ID	CHEBI:187337
ChEBI Name	2-(5-hexadecylfuran-2-yl)-acetic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H38O3
Net Charge	0
Average Mass	350.543
Monoisotopic Mass	350.28210
SMILES	CCCCCCCCCCCCCCCCc1ccc(CC(=O)O)o1
InChI	InChI=1S/C22H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-18-21(25-20)19-22(23)24/h17-18H,2-16,19H2,1H3,(H,23,24)
InChIKey	MYKNDMTYMCTYAG-UHFFFAOYSA-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)
	2-(5-hexadecylfuran-2-yl)-acetic acid (CHEBI:187337) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name
2-(5-hexadecyluran-2-yl)acetic acid

Manual Xrefs	Databases
8648516	ChemSpider
LMFA01150044	LIPID MAPS