9-(3,4-dimethyl-5-butylfuran-2-yl)-nonanoic acid (CHEBI:187691)

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ChEBI Name	9-(3,4-dimethyl-5-butylfuran-2-yl)-nonanoic acid

ChEBI ID	CHEBI:187691

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H32O3

Net Charge

Average Mass

308.462

Monoisotopic Mass

308.23514

InChI

InChI=1S/C19H32O3/c1-4-5-12-17-15(2)16(3)18(22-17)13-10-8-6-7-9-11-14-19(20)21/h4-14H2,1-3H3,(H,20,21)

InChIKey

IZEBSZFMLJHHME-UHFFFAOYSA-N

SMILES

O1C(CCCCCCCCC(O)=O)=C(C(=C1CCCC)C)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	9-(3,4-dimethyl-5-butylfuran-2-yl)-nonanoic acid (CHEBI:187691) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name

9-(5-butyl-3,4-dimethyluran-2-yl)nonanoic acid