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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3,4-Dimethyl-5-propyl-2-furanheptanoic acid

ChEBI ID	CHEBI:230974

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H26O3

Net Charge

Average Mass

266.381

Monoisotopic Mass

266.18819

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

SMILES

O1C(CCCCCCC(O)=O)=C(C(=C1CCC)C)C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	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