3-(3-methylfuran-2,5-diyl)-dipropionic acid (CHEBI:185436)

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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-(3-methylfuran-2,5-diyl)-dipropionic acid

ChEBI ID	CHEBI:185436

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H14O5

Net Charge

Average Mass

226.228

Monoisotopic Mass

226.08412

InChI

InChI=1S/C11H14O5/c1-7-6-8(2-4-10(12)13)16-9(7)3-5-11(14)15/h6H,2-5H2,1H3,(H,12,13)(H,14,15)

InChIKey

LVVGOPQBDMGEIB-UHFFFAOYSA-N

SMILES

O1C(=C(C=C1CCC(O)=O)C)CCC(O)=O

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-(3-methylfuran-2,5-diyl)-dipropionic acid (CHEBI:185436) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name

3-[5-(2-carboxyethyl)-4-methyluran-2-yl]propanoic acid