2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid (CHEBI:41254)

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ChEBI Name	2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid

ChEBI ID	CHEBI:41254

Definition	A furoic acid that is furan-3-carboxylic acid substituted by a methyl group at position 4, a propyl group at position 5 and a 2-carboxyethyl group at position 2. It is a potent uremic toxin that has been found to accumulate in human serum of patients with chronic kidney diseases.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C12H16O5

Net Charge

Average Mass

240.25240

Monoisotopic Mass

240.09977

InChI

InChI=1S/C12H16O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-6H2,1-2H3,(H,13,14)(H,15,16)

InChIKey

WMCQWXZMVIETAO-UHFFFAOYSA-N

SMILES

CCCc1oc(CCC(O)=O)c(C(O)=O)c1C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	uremic toxin A toxin that accumulates in patients with chronic kidney disease. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology
Outgoing	2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid (CHEBI:41254) has role human metabolite (CHEBI:77746) 2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid (CHEBI:41254) has role uremic toxin (CHEBI:64584) 2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid (CHEBI:41254) is a dicarboxylic acid (CHEBI:35692) 2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid (CHEBI:41254) is a furoic acid (CHEBI:36055) 2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid (CHEBI:41254) is conjugate acid of 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CHEBI:82986) 2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid (CHEBI:41254) is conjugate acid of 3-carboxy-4-methyl-5-propyl-2-furanpropionate(2−) (CHEBI:194524)

Incoming	3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CHEBI:82986) is conjugate base of 2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid (CHEBI:41254) 3-carboxy-4-methyl-5-propyl-2-furanpropionate(2−) (CHEBI:194524) is conjugate base of 2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid (CHEBI:41254)

IUPAC Name

2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid

Synonyms	Sources
3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid	HMDB
CMPF	ChEBI

Citation	Type	Source
8787801	PubMed citation	Europe PMC

Last Modified

23 October 2015