3,4-Dimethyl-5-propyl-2-furanheptanoic acid (CHEBI:230974)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:230974 - 3,4-Dimethyl-5-propyl-2-furanheptanoic acid

Take structure to advanced search

ChEBI ID	CHEBI:230974
ChEBI Name	3,4-Dimethyl-5-propyl-2-furanheptanoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H26O3
Net Charge	0
Average Mass	266.381
Monoisotopic Mass	266.18819
SMILES	CCCc1oc(CCCCCCC(=O)O)c(C)c1C
InChI	InChI=1S/C16H26O3/c1-4-9-14-12(2)13(3)15(19-14)10-7-5-6-8-11-16(17)18/h4-11H2,1-3H3,(H,17,18)
InChIKey	LFPMPYMHIRJRDE-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	feces (BTO:0000440)	MetaboLights (MTBLS9100)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	3,4-Dimethyl-5-propyl-2-furanheptanoic acid (CHEBI:230974) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name
7-(3,4-dimethyl-5-propyluran-2-yl)heptanoic acid

Manual Xrefs	Databases
HMDB0112089	HMDB
74849745	ChemSpider