CHEBI:137432 - methyl β-(acetylthio)isobutyrate

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ChEBI Name methyl β-(acetylthio)isobutyrate ChEBI ID CHEBI:137432 ChEBI ASCII Name methyl beta-(acetylthio)isobutyrate Definition A methyl ester derived from β-(acetylthio)isobutyric acid. Stars This entity has been manually annotated by the ChEBI Team. Submitter Gemma Holliday Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H12O3S Net Charge 0 Average Mass 176.235 Monoisotopic Mass 176.05072 InChI InChI=1S/C7H12O3S/c1-5(7(9)10-3)4-11-6(2)8/h5H,4H2,1-3H3 InChIKey ODXYWRPJDYJIPT-UHFFFAOYSA-N SMILES CC(SCC(C(OC)=O)C)=O ChEBI Ontology Outgoing methyl β-(acetylthio)isobutyrate (CHEBI:137432) has functional parent isobutyric acid (CHEBI:16135) methyl β-(acetylthio)isobutyrate (CHEBI:137432) is a methyl ester (CHEBI:25248) methyl β-(acetylthio)isobutyrate (CHEBI:137432) is a thioacetate ester (CHEBI:52477) IUPAC Name methyl 3-(acetylsulfanyl)-2-methylpropanoate Synonyms Sources DL-MATI SUBMITTER methyl 3-(acetylsulfanyl)-2-methylpropionate ChEBI methyl 3-(acetylthio)-2-methylpropanoate ChEBI methyl 3-(acetylthio)-2-methylpropionate ChEBI methyl 3-(acetylthio)isobutyrate ChEBI Registry Numbers Types Sources 1768686 Reaxys Registry Number Reaxys 97101-46-7 CAS Registry Number ChemIDplus Citation Type Source 16321951 PubMed citation SUBMITTER Last Modified 17 August 2017