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CHEBI:146780 - 3-methyl-3-sulfanylhexan-1-ol

ChEBI IDCHEBI:146780
ChEBI Name3-methyl-3-sulfanylhexan-1-ol
Stars
DefinitionA primary alcohol that is hexan-1-ol which is substituted by a methyl group and a thiol group at position 3. It is the odor component of human axilla sweat and the major species at pH 7.3.
Last Modified23 March 2020
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC7H16OS
Net Charge0
Average Mass148.271
Monoisotopic Mass148.09219
SMILESCCCC(C)(S)CCO
InChIInChI=1S/C7H16OS/c1-3-4-7(2,9)5-6-8/h8-9H,3-6H2,1-2H3
InChIKeyPSALIMFZUGITJC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) sweat (ENVO:02000025) PubMed (17191896)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3-methyl-3-sulfanylhexan-1-ol (CHEBI:146780) has functional parent hexan-1-ol (CHEBI:87393)
3-methyl-3-sulfanylhexan-1-ol (CHEBI:146780) has role human metabolite (CHEBI:77746)
3-methyl-3-sulfanylhexan-1-ol (CHEBI:146780) is a primary alcohol (CHEBI:15734)
3-methyl-3-sulfanylhexan-1-ol (CHEBI:146780) is a thiol (CHEBI:29256)
3-methyl-3-sulfanylhexan-1-ol (CHEBI:146780) is a volatile organic compound (CHEBI:134179)
IUPAC Name 
3-methyl-3-sulfanylhexan-1-ol
Synonyms  Source
3M3SHSUBMITTER
3-mercapto-3-methyl-1-hexanolChEBI
3-mercapto-3-methylhexan-1-olChEBI
3-methyl-3-sulfanyl-hexan-1-olChEBI
3-methyl-3-mercaptohexan-1-olChEBI
3-methyl-3-sulfanyl-1-hexanolChEBI
UniProt Name  Source
3-methyl-3-sulfanylhexan-1-olUniProt
Registry NumbersSources
CAS:307964-23-4ChEBI
Citations