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CHEBI:168833 - (+/-)-Isobutyl 3-methylthiobutyrate

ChEBI IDCHEBI:168833
ChEBI Name(+/-)-Isobutyl 3-methylthiobutyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H18O2S
Net Charge0
Average Mass190.308
Monoisotopic Mass190.10275
SMILESCSC(C)CC(=O)OCC(C)C
InChIInChI=1S/C9H18O2S/c1-7(2)6-11-9(10)5-8(3)12-4/h7-8H,5-6H2,1-4H3
InChIKeyRRGSLXQIRFOAEM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
(+/-)-Isobutyl 3-methylthiobutyrate (CHEBI:168833) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
2-methylpropyl 3-methylsulanylbutanoate
Manual XrefsDatabases
21105925ChemSpider
HMDB0032346HMDB
LMFA07010696LIPID MAPS
Registry NumbersSources
CAS:127931-21-9ChemIDplus