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

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

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ChEBI ID	CHEBI:193225
ChEBI Name	3,4-dimethyl-5-carboxyethyl-2-furanbutanoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H18O5
Net Charge	0
Average Mass	254.282
Monoisotopic Mass	254.11542
SMILES	Cc1c(CCCC(=O)O)oc(CCC(=O)O)c1C
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

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	feces (BTO:0000440)	MetaboLights (MTBLS5335)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	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

Manual Xrefs	Databases
LMFA01150053	LIPID MAPS
113368395	ChemSpider