3-methyl-5-carboxypropyl-2-furanpropanoic acid (CHEBI:184514)

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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-methyl-5-carboxypropyl-2-furanpropanoic acid

ChEBI ID	CHEBI:184514

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H16O5

Net Charge

Average Mass

240.255

Monoisotopic Mass

240.09977

InChI

InChI=1S/C12H16O5/c1-8-7-9(3-2-4-11(13)14)17-10(8)5-6-12(15)16/h7H,2-6H2,1H3,(H,13,14)(H,15,16)

InChIKey

HZVYFXMSXIRDBK-UHFFFAOYSA-N

SMILES

O1C(CCCC(O)=O)=CC(=C1CCC(O)=O)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-methyl-5-carboxypropyl-2-furanpropanoic acid (CHEBI:184514) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name

4-[5-(2-carboxyethyl)-4-methyluran-2-yl]butanoic acid