CHEBI:89436 - S-Methyl 3-methylthiobutyrate

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ChEBI Name S-Methyl 3-methylthiobutyrate ChEBI ID CHEBI:89436 Stars This entity has been manually annotated by a third party. 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 C6H12OS Net Charge 0 Average Mass 132.225 Monoisotopic Mass 132.06089 InChI InChI=1S/C6H12OS/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3 InChIKey MPLWTJZAFOVXKP-UHFFFAOYSA-N SMILES CC(C)CC(=O)SC Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed ChEBI Ontology Outgoing S-Methyl 3-methylthiobutyrate (CHEBI:89436) is a thiocarboxylic ester (CHEBI:26959) Synonyms Sources 3-methyl-1-(methylsulfanyl)butan-1-one HMDB Butanethioic acid, 3-methyl-, S-methyl ester HMDB FEMA 3864 HMDB Methanethiol isovalerate HMDB S-Methyl 3-methylbutanethioate HMDB S-Methyl thio-3-methylbutyrate HMDB S-Methyl thioisovalerate HMDB Manual Xref Database HMDB0039843 HMDB View more database links Registry Number Type Source 23747-45-7 CAS Registry Number KEGG COMPOUND Citation Type Source 23454028 PubMed citation Europe PMC