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

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ChEBI Name 3-methyl-3-sulfanylhexan-1-ol ChEBI ID CHEBI:146780 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Elisabeth COUDERT Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H16OS Net Charge 0 Average Mass 148.260 Monoisotopic Mass 148.09219 InChI InChI=1S/C7H16OS/c1-3-4-7(2,9)5-6-8/h8-9H,3-6H2,1-2H3 InChIKey PSALIMFZUGITJC-UHFFFAOYSA-N SMILES C(CC(CCO)(S)C)C Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in sweat (ENVO:02000025). See: PubMed Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources 3-mercapto-3-methyl-1-hexanol ChEBI 3-mercapto-3-methylhexan-1-ol ChEBI 3-methyl-3-mercaptohexan-1-ol ChEBI 3-methyl-3-sulfanyl-1-hexanol ChEBI 3-methyl-3-sulfanyl-hexan-1-ol ChEBI 3-methyl-3-sulfanylhexan-1-ol UniProt 3-methyl-3-sulphanylhexan-1-ol ChEBI 3M3SH Note: (2020-03-23) This is an abbreviation used in some journal articles. SUBMITTER Registry Number Type Source 307964-23-4 CAS Registry Number ChEBI Citations Types Sources 17191896 PubMed citation Europe PMC 17191898 PubMed citation SUBMITTER 17192014 PubMed citation Europe PMC 17193253 PubMed citation Europe PMC 18515361 PubMed citation SUBMITTER 24533866 PubMed citation Europe PMC 26163522 PubMed citation Europe PMC 26840760 PubMed citation Europe PMC 27789516 PubMed citation Europe PMC 28062945 PubMed citation Europe PMC 29966586 PubMed citation Europe PMC IND44654748 Agricola citation Europe PMC Last Modified 23 March 2020