2-methylfuran (CHEBI:88912)

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ChEBI Name	2-methylfuran

ChEBI ID	CHEBI:88912

Definition	A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a methyl group.

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

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Formula

C5H6O

Net Charge

Average Mass

82.102

Monoisotopic Mass

82.04186

InChI

InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3

InChIKey

VQKFNUFAXTZWDK-UHFFFAOYSA-N

SMILES

CC1=CC=CO1

Metabolite of Species	Details
Citrus hystrix (NCBI:txid170989)	See: PubMed
Citrus limon (NCBI:txid2708)	See: PubMed
Prunus avium (NCBI:txid42229)	See: PubMed
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: PubMed
Homo sapiens (NCBI:txid9606)	Found in faeces (UBERON:0001988). See: PubMed

Roles Classification
Biological Role(s):	hepatotoxic agent A role played by a chemical compound exihibiting itself through the ability to induce damage to the liver in animals. flavouring agent A food additive that is used to added improve the taste or odour of a food. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples.

Application(s):	fuel An energy-rich substance that can be transformed with release of usable energy. flavouring agent A food additive that is used to added improve the taste or odour of a food.

ChEBI Ontology
Outgoing	2-methylfuran (CHEBI:88912) has role flavouring agent (CHEBI:35617) 2-methylfuran (CHEBI:88912) has role fuel (CHEBI:33292) 2-methylfuran (CHEBI:88912) has role hepatotoxic agent (CHEBI:50908) 2-methylfuran (CHEBI:88912) has role human urinary metabolite (CHEBI:84087) 2-methylfuran (CHEBI:88912) has role plant metabolite (CHEBI:76924) 2-methylfuran (CHEBI:88912) is a furans (CHEBI:24129) 2-methylfuran (CHEBI:88912) is a volatile organic compound (CHEBI:134179)

IUPAC Name

2-methylfuran

Last Modified

20 May 2021