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CHEBI:137995 - 2-ethyl-4-hydroxy-5-methyl-3(2H)-furanone

Default Structure
ChEBI IDCHEBI:137995
ChEBI Name2-ethyl-4-hydroxy-5-methyl-3(2H)-furanone
Stars
ASCII Name2-ethyl-4-hydroxy-5-methyl-3(2H)-furanone
DefinitionA member of the class of furans that is furan-3(2H)-one carrying additional ethyl, hydroxy and methyl substituents at positions 2, 4 and 5 respectively. A key aroma compound in soy sauce and fish sauce.
Last Modified30 August 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC7H10O3
Net Charge0
Average Mass142.154
Monoisotopic Mass142.06299
SMILESCCC1OC(C)=C(O)C1=O
InChIInChI=1S/C7H10O3/c1-3-5-7(9)6(8)4(2)10-5/h5,8H,3H2,1-2H3
InChIKeyGWCRPYGYVRXVLI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (27865643)
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
2-ethyl-4-hydroxy-5-methyl-3(2H)-furanone (CHEBI:137995) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
2-ethyl-4-hydroxy-5-methyl-3(2H)-furanone (CHEBI:137995) is a cyclic ketone (CHEBI:3992)
2-ethyl-4-hydroxy-5-methyl-3(2H)-furanone (CHEBI:137995) is a enol (CHEBI:33823)
2-ethyl-4-hydroxy-5-methyl-3(2H)-furanone (CHEBI:137995) is a furans (CHEBI:24129)
Synonyms  Source
4-Hydroxy-2-ethyl-5-methyl-3(2H)-furanoneChemIDplus
homofuraneolNIST Chemistry WebBook
UniProt Name  Source
2-ethyl-4-hydroxy-5-methyl-3(2H)-furanoneUniProt
Manual XrefsDatabases
CA2615583Patent
CPD-10201MetaCyc
EP1006813Patent
EP2386211Patent
WO9805220Patent
Registry NumbersSources
Reaxys:1617449Reaxys
CAS:27538-10-9ChemIDplus
CAS:27538-10-9NIST Chemistry WebBook
Citations