3,4-Dimethyl-5-pentyl-2-furanheptanoic acid (CHEBI:165397)

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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-pentyl-2-furanheptanoic acid

ChEBI ID	CHEBI:165397

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H30O3

Net Charge

Average Mass

294.435

Monoisotopic Mass

294.21949

InChI

InChI=1S/C18H30O3/c1-4-5-8-11-16-14(2)15(3)17(21-16)12-9-6-7-10-13-18(19)20/h4-13H2,1-3H3,(H,19,20)

InChIKey

RFNALLFQILGKLF-UHFFFAOYSA-N

SMILES

O1C(CCCCCCC(O)=O)=C(C(=C1CCCCC)C)C

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-pentyl-2-furanheptanoic acid (CHEBI:165397) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name

7-(3,4-dimethyl-5-pentyluran-2-yl)heptanoic acid