3-mercaptohexanol
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http://purl.obolibrary.org/obo/CHEBI_77690
An alkanethiol that is hexane substituted at positions 1 and 3 by hydroxy and sulfanyl groups respectively.
Term info
Label
3-mercaptohexanol
Synonyms
- 3-sulfanylhexan-1-ol
Subsets
3_STAR
charge
0
formula
C6H14OS
has obo namespace
chebi_ontology
has related synonym
3-Mercapto-1-hexanol, 3-Mercaptohexan-1-ol, 3-Sulphanylhexan-1-ol, 3-Sulfanyl-1-hexanol
id
CHEBI:77690
inchi
InChI=1S/C6H14OS/c1-2-3-6(8)4-5-7/h6-8H,2-5H2,1H3
inchikey
TYZFMFVWHZKYSE-UHFFFAOYSA-N
mass
134.24000
monoisotopicmass
134.07654
smiles
CCCC(S)CCO
Term relations
Subclass of:
- alkanethiol
- primary alcohol
- has parent hydride some hexane
- has role some flavouring agent
- has role some Saccharomyces cerevisiae metabolite
- has role some plant metabolite
Related from: