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CHEBI:156073 - butyl 3-(methylsulfanyl)propanoate

ChEBI IDCHEBI:156073
ChEBI Namebutyl 3-(methylsulfanyl)propanoate
Stars
DefinitionA carboxylic ester obtained by the formal condensation of the carboxy group of 3-(methylthio)propionic acid with butan-1-ol.
Last Modified13 July 2020
SubmitterAnne Morgat
DownloadsMolfile
FormulaC8H16O2S
Net Charge0
Average Mass176.281
Monoisotopic Mass176.08710
SMILESCCCCOC(=O)CCSC
InChIInChI=1S/C8H16O2S/c1-3-4-6-10-8(9)5-7-11-2/h3-7H2,1-2H3
InChIKeyAOUVGXHIHWHVEM-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)
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  Source
3-(methylthio)propanoic acid butyl esterChEBI
butyl 3-(methylthio)propanoateChEBI
UniProt Name  Source
butyl 3-(methylsulfanyl)propanoateUniProt
Citations