CHEBI:88617 - 2-ethyl-5-methylfuran

ChEBI IDCHEBI:88617
ChEBI Name2-ethyl-5-methylfuran
Stars
DefinitionA member of the class of furans that is furan in which the hydrogens at positions 2 and 5 are replaced by ethyl and methyl groups, respectively.
Last Modified17 June 2021
DownloadsMolfile
FormulaC7H10O
Net Charge0
Average Mass110.156
Monoisotopic Mass110.07316
SMILESCCc1ccc(C)o1
InChIInChI=1S/C7H10O/c1-3-7-5-4-6(2)8-7/h4-5H,3H2,1-2H3
InChIKeyNBXLPPVOZWYADY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
faeces (UBERON:0001988) PubMed (21280206)
urine (BTO:0001419) PubMed (29725472)
Mus musculus (ncbitaxon:10090) urine (BTO:0001419) PubMed (22364569)
Rhodobryum giganteum (ncbitaxon:66998) - PubMed (19553892)
Fusarium avenaceum (ncbitaxon:40199) - PubMed (33291490)
Roles Classification
Biological Roles:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
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.
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-ethyl-5-methylfuran (CHEBI:88617) has role flavouring agent (CHEBI:35617)
2-ethyl-5-methylfuran (CHEBI:88617) has role fungal metabolite (CHEBI:76946)
2-ethyl-5-methylfuran (CHEBI:88617) has role human urinary metabolite (CHEBI:84087)
2-ethyl-5-methylfuran (CHEBI:88617) has role mouse metabolite (CHEBI:75771)
2-ethyl-5-methylfuran (CHEBI:88617) has role plant metabolite (CHEBI:76924)
2-ethyl-5-methylfuran (CHEBI:88617) is a furans (CHEBI:24129)
IUPAC Name 
2-ethyl-5-methylfuran
Synonyms  Source
2-methyl-5-ethylfuranNIST Chemistry WebBook
2-ethyl-5-methyl-furanHMDB
Manual XrefsDatabases
HMDB0029728HMDB
66942ChemSpider
Registry NumbersSources
CAS:1703-52-2ChemIDplus
CAS:1703-52-2NIST Chemistry WebBook
Citations