3-carboxy-4-methyl-5-(4-oxopentyl)-2-furanpropanoic acid (CHEBI:185438)

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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-carboxy-4-methyl-5-(4-oxopentyl)-2-furanpropanoic acid

ChEBI ID	CHEBI:185438

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H18O6

Net Charge

Average Mass

282.292

Monoisotopic Mass

282.11034

InChI

InChI=1S/C14H18O6/c1-8(15)4-3-5-10-9(2)13(14(18)19)11(20-10)6-7-12(16)17/h3-7H2,1-2H3,(H,16,17)(H,18,19)

InChIKey

OWPHNZJOHJVXST-UHFFFAOYSA-N

SMILES

O1C(CCCC(=O)C)=C(C(=C1CCC(O)=O)C(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-carboxy-4-methyl-5-(4-oxopentyl)-2-furanpropanoic acid (CHEBI:185438) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name

2-(2-carboxyethyl)-4-methyl-5-(4-oxopentyl)uran-3-carboxylic acid