EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:168753 - Ethyl 3-(methylthio)butanoate

ChEBI IDCHEBI:168753
ChEBI NameEthyl 3-(methylthio)butanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H14O2S
Net Charge0
Average Mass162.254
Monoisotopic Mass162.07145
SMILESCCOC(=O)CC(C)SC
InChIInChI=1S/C7H14O2S/c1-4-9-7(8)5-6(2)10-3/h6H,4-5H2,1-3H3
InChIKeyOBOGJNGOEGQVPL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913)
spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
spermatozoon (FMA:67338) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Ethyl 3-(methylthio)butanoate (CHEBI:168753) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
ethyl 3-methylsulanylbutanoate
Manual XrefsDatabases
20039114ChemSpider
HMDB0038084HMDB
Registry NumbersSources
CAS:233665-96-8ChemIDplus