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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.
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This entity has been manually annotated by the ChEBI Team.
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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.
View more via ChEBI Ontology
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
Type
Source
17431610
PubMed citation
Europe PMC
Last Modified
02 September 2015