3,4-dimethyl-5-carboxyethyl-2-furanhexanoic acid (CHEBI:186708)

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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-carboxyethyl-2-furanhexanoic acid

ChEBI ID	CHEBI:186708

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H22O5

Net Charge

Average Mass

282.336

Monoisotopic Mass

282.14672

InChI

InChI=1S/C15H22O5/c1-10-11(2)13(8-9-15(18)19)20-12(10)6-4-3-5-7-14(16)17/h3-9H2,1-2H3,(H,16,17)(H,18,19)

InChIKey

ISVSHKJFDAGMDH-UHFFFAOYSA-N

SMILES

O1C(CCCCCC(O)=O)=C(C(=C1CCC(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-carboxyethyl-2-furanhexanoic acid (CHEBI:186708) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name

6-[5-(2-carboxyethyl)-3,4-dimethyluran-2-yl]hexanoic acid