CHEBI:193662 - Methyl 3-(methylthio)butanoate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Methyl 3-(methylthio)butanoate
ChEBI ID CHEBI:193662
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C6H12O2S
Net Charge 0
Average Mass 148.220
Monoisotopic Mass 148.05580
InChI InChI=1S/C6H12O2S/c1-5(9-3)4-6(7)8-2/h5H,4H2,1-3H3
InChIKey HJJHJUWCICDDEL-UHFFFAOYSA-N
SMILES S(C(CC(OC)=O)C)C
Metabolite of Species Details
mock community culture Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing Methyl 3-(methylthio)butanoate (CHEBI:193662) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name
methyl 3-methylsulanylbutanoate
Manual Xrefs Databases
476874 ChemSpider
HMDB0032410 HMDB
LMFA07010947 LIPID MAPS
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Registry Number Type Source
207983-28-6 CAS Registry Number ChemIDplus