9-(3,4-dimethyl-5-pentylfuran-2-yl)-nonanoic acid (CHEBI:187029)

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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	9-(3,4-dimethyl-5-pentylfuran-2-yl)-nonanoic acid

ChEBI ID	CHEBI:187029

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H34O3

Net Charge

Average Mass

322.489

Monoisotopic Mass

322.25079

InChI

InChI=1S/C20H34O3/c1-4-5-10-13-18-16(2)17(3)19(23-18)14-11-8-6-7-9-12-15-20(21)22/h4-15H2,1-3H3,(H,21,22)

InChIKey

GGNZKBPHAMNUOU-UHFFFAOYSA-N

SMILES

O1C(CCCCCCCCC(O)=O)=C(C(=C1CCCCC)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-pentylfuran-2-yl)-nonanoic acid (CHEBI:187029) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name

9-(3,4-dimethyl-5-pentyluran-2-yl)nonanoic acid