5-methylfuran-2-carboxylic acid (CHEBI:89918)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	5-methylfuran-2-carboxylic acid

ChEBI ID	CHEBI:89918

Definition	A member of the class of furoic acids that is 2-furoic acid substituted at position 5 by a methyl group.

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

Supplier Information

Download	Molfile XML SDF

more structures >>

Formula

C6H6O3

Net Charge

Average Mass

126.111

Monoisotopic Mass

126.03169

InChI

InChI=1S/C6H6O3/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H,7,8)

InChIKey

OVOCLWJUABOAPL-UHFFFAOYSA-N

SMILES

CC1=CC=C(O1)C(O)=O

Metabolite of Species	Details
Rattus norvegicus (NCBI:txid10116)	Found in urine (BTO:0001419). Identified in the urine of Sprague-Dawley rats. See: PubMed
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). 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):	human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. rat metabolite Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).

ChEBI Ontology
Outgoing	5-methylfuran-2-carboxylic acid (CHEBI:89918) has role human urinary metabolite (CHEBI:84087) 5-methylfuran-2-carboxylic acid (CHEBI:89918) has role rat metabolite (CHEBI:86264) 5-methylfuran-2-carboxylic acid (CHEBI:89918) is a furoic acid (CHEBI:36055)

IUPAC Name

5-methylfuran-2-carboxylic acid

Synonyms	Sources
5-methyl-2-furancarboxylic acid	ChEBI
5-methyl-2-furoic acid	ChEBI
5-methylpyromucic acid	ChemIDplus

Registry Number	Type	Source
1917-15-3	CAS Registry Number	ChemIDplus

Last Modified

24 June 2021