CHEBI:165640 - 3-Mercaptohexyl butyrate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3-Mercaptohexyl butyrate
ChEBI ID CHEBI:165640
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C10H20O2S
Net Charge 0
Average Mass 204.330
Monoisotopic Mass 204.11840
InChI InChI=1S/C10H20O2S/c1-3-5-9(13)7-8-12-10(11)6-4-2/h9,13H,3-8H2,1-2H3
InChIKey TZNJKOLXWHXDAF-UHFFFAOYSA-N
SMILES SC(CCC)CCOC(=O)CCC
ChEBI Ontology
Outgoing 3-Mercaptohexyl butyrate (CHEBI:165640) is a fatty acid ester (CHEBI:35748)
IUPAC Name
3-sulanylhexyl butanoate
Manual Xrefs Databases
468336 ChemSpider
HMDB0038948 HMDB
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Registry Number Type Source
136954-21-7 CAS Registry Number ChemIDplus