CHEBI:87281 - 3-methylthiopropyl acetate

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ChEBI Name 3-methylthiopropyl acetate
ChEBI ID CHEBI:87281
Definition An acetate ester obtained by the formal condensation of the hydroxy group of 3-(methylsulfanyl)propan-1-ol with acetic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C6H12O2S
Net Charge 0
Average Mass 148.22300
Monoisotopic Mass 148.05580
InChI InChI=1S/C6H12O2S/c1-6(7)8-4-3-5-9-2/h3-5H2,1-2H3
InChIKey LPZQTNIAYMRVMF-UHFFFAOYSA-N
SMILES CSCCCOC(C)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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
Citation Waiting for Citations Type Source
17431610 PubMed citation Europe PMC
Last Modified
02 September 2015