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CHEBI:193662 - Methyl 3-(methylthio)butanoate

ChEBI IDCHEBI:193662
ChEBI NameMethyl 3-(methylthio)butanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC6H12O2S
Net Charge0
Average Mass148.227
Monoisotopic Mass148.05580
SMILESCOC(=O)CC(C)SC
InChIInChI=1S/C6H12O2S/c1-5(9-3)4-6(7)8-2/h5H,4H2,1-3H3
InChIKeyHJJHJUWCICDDEL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
ChEBI Ontology
Outgoing Relation(s)
Methyl 3-(methylthio)butanoate (CHEBI:193662) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name 
methyl 3-methylsulanylbutanoate
Manual XrefsDatabases
476874ChemSpider
HMDB0032410HMDB
LMFA07010947LIPID MAPS
Registry NumbersSources
CAS:207983-28-6ChemIDplus