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CHEBI:172946 - 3-methylfuran

ChEBI IDCHEBI:172946
ChEBI Name3-methylfuran
Stars
DefinitionA 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.
Last Modified20 May 2021
SubmitterAdnan
DownloadsMolfile
FormulaC5H6O
Net Charge0
Average Mass82.102
Monoisotopic Mass82.04186
SMILESCc1ccoc1
InChIInChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3
InChIKeyKJRRQXYWFQKJIP-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Cladosporium cladosporioides (ncbitaxon:29917) - PubMed (16535095)
Penicillium commune (ncbitaxon:36653) - PubMed (16535095)
Aspergillus versicolor (ncbitaxon:46472) - PubMed (16535095)
Byssochlamys spectabilis (ncbitaxon:264951) - PubMed (16535095)
Diplotaxis tenuifolia (ncbitaxon:264416) - PubMed (28490114)
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Roles:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
Penicillium metabolite  Any fungal metabolite produced during a metabolic reaction in Penicillium.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
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
Synonyms  Source
3MFChEBI
3-MFChEBI
3-methylfuraneNIST Chemistry WebBook
4-methylfuranChEBI
Manual XrefsDatabases
3-MethylfuranWikipedia
12998ChemSpider
CN1534033Patent
Registry NumbersSources
Reaxys:104217Reaxys
CAS:930-27-8NIST Chemistry WebBook
CAS:930-27-8ChemIDplus
Citations