CHEBI:156073 - butyl 3-(methylsulfanyl)propanoate

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ChEBI Name butyl 3-(methylsulfanyl)propanoate
ChEBI ID CHEBI:156073
Definition A carboxylic ester obtained by the formal condensation of the carboxy group of 3-(methylthio)propionic acid with butan-1-ol.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
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Formula C8H16O2S
Net Charge 0
Average Mass 176.270
Monoisotopic Mass 176.08710
InChI InChI=1S/C8H16O2S/c1-3-4-6-10-8(9)5-7-11-2/h3-7H2,1-2H3
InChIKey AOUVGXHIHWHVEM-UHFFFAOYSA-N
SMILES CCCCOC(CCSC)=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 butyl 3-(methylsulfanyl)propanoate (CHEBI:156073) has functional parent 3-(methylthio)propionic acid (CHEBI:1438)
butyl 3-(methylsulfanyl)propanoate (CHEBI:156073) has role metabolite (CHEBI:25212)
butyl 3-(methylsulfanyl)propanoate (CHEBI:156073) is a carboxylic ester (CHEBI:33308)
butyl 3-(methylsulfanyl)propanoate (CHEBI:156073) is a methyl sulfide (CHEBI:86315)
IUPAC Name
butyl 3-(methylsulfanyl)propanoate
Synonyms Sources
3-(methylthio)propanoic acid butyl ester ChEBI
butyl 3-(methylsulfanyl)propanoate UniProt
butyl 3-(methylthio)propanoate ChEBI
Citation Waiting for Citations Type Source
21450321 PubMed citation SUBMITTER
Last Modified
13 July 2020