10-(3,4-dimethyl-5-pentylfuran-2-yl)-decanoic acid (CHEBI:186775)

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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	10-(3,4-dimethyl-5-pentylfuran-2-yl)-decanoic acid

ChEBI ID	CHEBI:186775

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H36O3

Net Charge

Average Mass

336.516

Monoisotopic Mass

336.26645

InChI

InChI=1S/C21H36O3/c1-4-5-11-14-19-17(2)18(3)20(24-19)15-12-9-7-6-8-10-13-16-21(22)23/h4-16H2,1-3H3,(H,22,23)

InChIKey

SWOLPSUMESXJAB-UHFFFAOYSA-N

SMILES

O1C(CCCCCCCCCC(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	10-(3,4-dimethyl-5-pentylfuran-2-yl)-decanoic acid (CHEBI:186775) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name

10-(3,4-dimethyl-5-pentyluran-2-yl)decanoic acid