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

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

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ChEBI ID	CHEBI:89286
ChEBI Name	2-methyl-5-(methylthio)furan
Stars
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.
Last Modified	18 June 2021
Downloads	Molfile

Formula	C6H8OS
Net Charge	0
Average Mass	128.196
Monoisotopic Mass	128.02959
SMILES	CSc1ccc(C)o1
InChI	InChI=1S/C6H8OS/c1-5-3-4-6(7-5)8-2/h3-4H,1-2H3
InChIKey	RESBOJMQOGJOMW-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)
	urine (BTO:0001419)	PubMed (24023812)
	-	PubMed (25123840)	Identified in human umbilical vein endothelial cells.
	-	PubMed (23870484)	Identified in human hepatocellular carcinoma cells.
	urine (BTO:0001419)	PubMed (30997581)

Roles Classification

Biological Roles:	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:	flavouring agent A food additive that is used to added improve the taste or odour of a food.

ChEBI Ontology

Outgoing Relation(s)
	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	Source
5-methyl-2-(methylthio)furan	ChemIDplus
methyl 5-methylfuryl sulfide	ChemIDplus
2-methyl 5-(methyl thio) furan	ChemIDplus
2-methyl-5-methylthiofuran	ChemIDplus
FEMA 3366	HMDB
2-methyl-5-(methylthio)-furan	HMDB

Manual Xrefs	Databases
HMDB0041566	HMDB
FDB021556	FooDB
55562	ChemSpider

Registry Numbers	Sources
CAS:13678-59-6	ChemIDplus
CAS:13678-59-6	NIST Chemistry WebBook

Citations