CHEBI:88912 - 2-methylfuran

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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.
Supplier Information ChemicalBook:CB4360487, eMolecules:591960, ZINC000001666987
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Formula C5H6O
Net Charge 0
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 exhibiting 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.
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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
Synonyms Sources
2-methyl furan ChEBI
2-methyl-furan HMDB
2-methylfurane NIST Chemistry WebBook
2-MF ChEBI
5-methylfuran ChemIDplus
α-methylfuran ChemIDplus
silvan ChemIDplus
sylvan ChemIDplus
Manual Xrefs Databases
10340 ChemSpider
2-Methylfuran Wikipedia
C00048276 KNApSAcK
FDB012718 FooDB
HMDB0013749 HMDB
View more database links
Registry Numbers Types Sources
103733 Reaxys Registry Number Reaxys
534-22-5 CAS Registry Number NIST Chemistry WebBook
534-22-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations
Last Modified
20 May 2021