3,4-dimethyl-5-carboxybutyl-2-furanpentanoic acid (CHEBI:187482)

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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-carboxybutyl-2-furanpentanoic acid

ChEBI ID	CHEBI:187482

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H24O5

Net Charge

Average Mass

296.363

Monoisotopic Mass

296.16237

InChI

InChI=1S/C16H24O5/c1-11-12(2)14(8-4-6-10-16(19)20)21-13(11)7-3-5-9-15(17)18/h3-10H2,1-2H3,(H,17,18)(H,19,20)

InChIKey

VYGIMSNQGYUTNQ-UHFFFAOYSA-N

SMILES

O1C(CCCCC(O)=O)=C(C(=C1CCCCC(O)=O)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	3,4-dimethyl-5-carboxybutyl-2-furanpentanoic acid (CHEBI:187482) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name

5-[5-(4-carboxybutyl)-3,4-dimethyluran-2-yl]pentanoic acid