7-(3-methyl-5-pentylfuran-2-yl)-heptanoic acid (CHEBI:184473)

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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	7-(3-methyl-5-pentylfuran-2-yl)-heptanoic acid

ChEBI ID	CHEBI:184473

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H28O3

Net Charge

Average Mass

280.408

Monoisotopic Mass

280.20384

InChI

InChI=1S/C17H28O3/c1-3-4-7-10-15-13-14(2)16(20-15)11-8-5-6-9-12-17(18)19/h13H,3-12H2,1-2H3,(H,18,19)

InChIKey

LTMUZWVWMSMAQO-UHFFFAOYSA-N

SMILES

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

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] 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	7-(3-methyl-5-pentylfuran-2-yl)-heptanoic acid (CHEBI:184473) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name

7-(3-methyl-5-pentyluran-2-yl)heptanoic acid