CHEBI:165640 - 3-Mercaptohexyl butyrate

ChEBI IDCHEBI:165640
ChEBI Name3-Mercaptohexyl butyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H20O2S
Net Charge0
Average Mass204.335
Monoisotopic Mass204.11840
SMILESCCCC(=O)OCCC(S)CCC
InChIInChI=1S/C10H20O2S/c1-3-5-9(13)7-8-12-10(11)6-4-2/h9,13H,3-8H2,1-2H3
InChIKeyTZNJKOLXWHXDAF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Mercaptohexyl butyrate (CHEBI:165640) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
3-sulanylhexyl butanoate
Manual XrefsDatabases
468336ChemSpider
HMDB0038948HMDB
Registry NumbersSources
CAS:136954-21-7ChemIDplus