3-methylfuran (CHEBI:172946)

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ChEBI Name	3-methylfuran

ChEBI ID	CHEBI:172946

Definition	A member of the class of furans that is furan in which the hydrogen at position 3 is replaced by a methyl group. It is a chemical that is produced in foods during food processing and preservation techniques that involve heat treatment such as cooking and pasteurization.

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/c1-5-2-3-6-4-5/h2-4H,1H3

InChIKey

KJRRQXYWFQKJIP-UHFFFAOYSA-N

SMILES

CC1=COC=C1

Metabolite of Species	Details
Diplotaxis tenuifolia (NCBI:txid264416)	See: PubMed
Byssochlamys sp.ctabilis (NCBI:txid264951)	See: PubMed
Cladosporium cladosporioides (NCBI:txid29917)	See: PubMed
Penicillium commune (NCBI:txid36653)	See: PubMed
Aspergillus versicolor (NCBI:txid46472)	See: PubMed

Roles Classification
Chemical Role(s):	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects.

Biological Role(s):	fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . Penicillium metabolite Any fungal metabolite produced during a metabolic reaction in Penicillium.

ChEBI Ontology
Outgoing	3-methylfuran (CHEBI:172946) has role Aspergillus metabolite (CHEBI:76956) 3-methylfuran (CHEBI:172946) has role Penicillium metabolite (CHEBI:76964) 3-methylfuran (CHEBI:172946) has role environmental contaminant (CHEBI:78298) 3-methylfuran (CHEBI:172946) has role fungal metabolite (CHEBI:76946) 3-methylfuran (CHEBI:172946) has role plant metabolite (CHEBI:76924) 3-methylfuran (CHEBI:172946) is a furans (CHEBI:24129) 3-methylfuran (CHEBI:172946) is a volatile organic compound (CHEBI:134179)

IUPAC Name

3-methylfuran

Last Modified

20 May 2021