3-mercaptohexyl acetate
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http://purl.obolibrary.org/obo/CHEBI_77818
An acetate ester obtained by formal O-acetylation of 3-mercaptohexanol.
Term info
Label
3-mercaptohexyl acetate
Synonyms
- 3-sulfanylhexyl acetate
Subsets
3_STAR
charge
0
formula
C8H16O2S
has obo namespace
chebi_ontology
id
CHEBI:77818
inchi
InChI=1S/C8H16O2S/c1-3-4-8(11)5-6-10-7(2)9/h8,11H,3-6H2,1-2H3
inchikey
JUCARGIKESIVLB-UHFFFAOYSA-N
mass
176.27600
monoisotopicmass
176.08710
smiles
CCCC(S)CCOC(C)=O
Term relations
Subclass of:
- alkanethiol
- acetate ester
- has role some Saccharomyces cerevisiae metabolite
- has functional parent some 3-mercaptohexanol