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CHEBI:89436 - S-Methyl 3-methylthiobutyrate

ChEBI IDCHEBI:89436
ChEBI NameS-Methyl 3-methylthiobutyrate
Stars
DownloadsMolfile
FormulaC6H12OS
Net Charge0
Average Mass132.228
Monoisotopic Mass132.06089
SMILESCSC(=O)CC(C)C
InChIInChI=1S/C6H12OS/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
InChIKeyMPLWTJZAFOVXKP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) faeces (UBERON:0001988) PubMed (23454028)
ChEBI Ontology
Outgoing Relation(s)
S-Methyl 3-methylthiobutyrate (CHEBI:89436) is a thiocarboxylic ester (CHEBI:26959)
Synonyms  Source
3-methyl-1-(methylsulfanyl)butan-1-oneHMDB
S-Methyl 3-methylbutanethioateHMDB
FEMA 3864HMDB
Butanethioic acid, 3-methyl-, S-methyl esterHMDB
S-Methyl thio-3-methylbutyrateHMDB
S-Methyl thioisovalerateHMDB
Manual XrefsDatabases
HMDB0039843HMDB
Registry NumbersSources
CAS:23747-45-7KEGG COMPOUND
Citations