4-methyl-5-carboxyethyl-2-furanpentanoic acid (CHEBI:193420)

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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	4-methyl-5-carboxyethyl-2-furanpentanoic acid

ChEBI ID	CHEBI:193420

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H18O5

Net Charge

Average Mass

254.282

Monoisotopic Mass

254.11542

InChI

InChI=1S/C13H18O5/c1-9-8-10(4-2-3-5-12(14)15)18-11(9)6-7-13(16)17/h8H,2-7H2,1H3,(H,14,15)(H,16,17)

InChIKey

VVSJZDOVZWFSID-UHFFFAOYSA-N

SMILES

O1C(CCCCC(O)=O)=CC(=C1CCC(O)=O)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). 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	4-methyl-5-carboxyethyl-2-furanpentanoic acid (CHEBI:193420) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name

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