3,4-dimethyl-5-carboxyethyl-2-furanbutanoic acid (CHEBI:193225)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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-furanbutanoic acid

ChEBI ID	CHEBI:193225

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

InChIKey

ZRPKUEWUJNRCRJ-UHFFFAOYSA-N

SMILES

O1C(=C(C(=C1CCC(O)=O)C)C)CCCC(O)=O

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	3,4-dimethyl-5-carboxyethyl-2-furanbutanoic acid (CHEBI:193225) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name

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