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CHEBI:193664 - Methyl 4-(methylthio)butyrate

ChEBI IDCHEBI:193664
ChEBI NameMethyl 4-(methylthio)butyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC6H12O2S
Net Charge0
Average Mass148.227
Monoisotopic Mass148.05580
SMILESCOC(=O)CCCSC
InChIInChI=1S/C6H12O2S/c1-8-6(7)4-3-5-9-2/h3-5H2,1-2H3
InChIKeyHQDLZISNHUMXEA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
ChEBI Ontology
Outgoing Relation(s)
Methyl 4-(methylthio)butyrate (CHEBI:193664) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name 
methyl 4-methylsulanylbutanoate
Manual XrefsDatabases
58888ChemSpider
LMFA07010952LIPID MAPS
HMDB0037619HMDB
Registry NumbersSources
CAS:53053-51-3ChemIDplus