2-methyl-5-(methylthio)furan (CHEBI:89286)

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ChEBI Name	2-methyl-5-(methylthio)furan

ChEBI ID	CHEBI:89286

Definition	A member of the class of furans that is furan substituted by methyl and methylsulfanyl groups at positions 2 and 5, respectively. It is a metabolite found in coffee and human urine.

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

Supplier Information

Download	Molfile XML SDF

Formula

C6H8OS

Net Charge

Average Mass

128.190

Monoisotopic Mass

128.02959

InChI

InChI=1S/C6H8OS/c1-5-3-4-6(7-5)8-2/h3-4H,1-2H3

InChIKey

RESBOJMQOGJOMW-UHFFFAOYSA-N

SMILES

CSC1=CC=C(C)O1

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Identified in human umbilical vein endothelial cells. See: PubMed
Homo sapiens (NCBI:txid9606)	Identified in human hepatocellular carcinoma cells. See: PubMed
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: PubMed
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: PubMed

Roles Classification
Biological Role(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food. human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Application(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food.

ChEBI Ontology
Outgoing	2-methyl-5-(methylthio)furan (CHEBI:89286) has role flavouring agent (CHEBI:35617) 2-methyl-5-(methylthio)furan (CHEBI:89286) has role human urinary metabolite (CHEBI:84087) 2-methyl-5-(methylthio)furan (CHEBI:89286) has role plant metabolite (CHEBI:76924) 2-methyl-5-(methylthio)furan (CHEBI:89286) is a furans (CHEBI:24129) 2-methyl-5-(methylthio)furan (CHEBI:89286) is a methyl sulfide (CHEBI:86315)

IUPAC Name

2-methyl-5-(methylsulfanyl)furan

Synonyms	Sources
2-methyl 5-(methyl thio) furan	ChemIDplus
2-methyl-5-(methylmercapto)furan	ChEBI
2-methyl-5-(methylthio)-furan	HMDB
2-methyl-5-methylthiofuran	ChemIDplus
5-methyl-2-(methylthio)furan	ChemIDplus
FEMA 3366	HMDB
methyl 5-methylfuryl sulfide	ChemIDplus

Last Modified

18 June 2021