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CHEBI:230605 - (s)-3-methylthiohexyl hexanoate

Default Structure
ChEBI IDCHEBI:230605
ChEBI Name(s)-3-methylthiohexyl hexanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H26O2S
Net Charge0
Average Mass246.416
Monoisotopic Mass246.16535
SMILESCCCCCC(=O)OCCC(CCC)SC
InChIInChI=1S/C13H26O2S/c1-4-6-7-9-13(14)15-11-10-12(16-3)8-5-2/h12H,4-11H2,1-3H3
InChIKeyYCHLQQVZMIQEAC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
(s)-3-methylthiohexyl hexanoate (CHEBI:230605) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
3-methylsulanylhexyl hexanoate
Manual XrefsDatabases
473219ChemSpider
HMDB0038947HMDB