EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:87281 - 3-methylthiopropyl acetate

ChEBI IDCHEBI:87281
ChEBI Name3-methylthiopropyl acetate
Stars
DefinitionAn acetate ester obtained by the formal condensation of the hydroxy group of 3-(methylsulfanyl)propan-1-ol with acetic acid.
Last Modified2 September 2015
Submitternamrata
DownloadsMolfile
FormulaC6H12O2S
Net Charge0
Average Mass148.227
Monoisotopic Mass148.05580
SMILESCSCCCOC(C)=O
InChIInChI=1S/C6H12O2S/c1-6(7)8-4-3-5-9-2/h3-5H2,1-2H3
InChIKeyLPZQTNIAYMRVMF-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3-methylthiopropyl acetate (CHEBI:87281) has functional parent 3-methylthiopropanol (CHEBI:49019)
3-methylthiopropyl acetate (CHEBI:87281) has role metabolite (CHEBI:25212)
3-methylthiopropyl acetate (CHEBI:87281) is a acetate ester (CHEBI:47622)
3-methylthiopropyl acetate (CHEBI:87281) is a methyl sulfide (CHEBI:86315)
IUPAC Name 
3-(methylsulfanyl)propyl acetate
Citations