Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 04:49:08 UTC
Update Date2022-08-31 22:36:12 UTC
MiMeDB IDMMDBc0033451
Metabolite Identification
Common Name3-mercaptohexyl acetate
Description3-mercaptohexyl acetate is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on 3-mercaptohexyl acetate.
Structure
Synonyms
ValueSource
3-Mercaptohexyl acetic acidGenerator
Chemical FormulaC8H16O2S
Average Molecular Weight176.276
Monoisotopic Molecular Weight176.087100446
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number136954-20-6
SMILESNot Available
InChI Identifier
InChI=1S/C8H16O2S/c1-3-4-8(11)5-6-10-7(2)9/h8,11H,3-6H2,1-2H3
InChI KeyJUCARGIKESIVLB-UHFFFAOYSA-N