EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:77690 - 3-mercaptohexanol
| Formula | C6H14OS |
| Net Charge | 0 |
| Average Mass | 134.244 |
| Monoisotopic Mass | 134.07654 |
| SMILES | CCCC(S)CCO |
| InChI | InChI=1S/C6H14OS/c1-2-3-6(8)4-5-7/h6-8H,2-5H2,1H3 |
| InChIKey | TYZFMFVWHZKYSE-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Roles: | Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| Application: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-mercaptohexanol (CHEBI:77690) has parent hydride hexane (CHEBI:29021) |
| 3-mercaptohexanol (CHEBI:77690) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) |
| 3-mercaptohexanol (CHEBI:77690) has role flavouring agent (CHEBI:35617) |
| 3-mercaptohexanol (CHEBI:77690) has role plant metabolite (CHEBI:76924) |
| 3-mercaptohexanol (CHEBI:77690) is a alkanethiol (CHEBI:47908) |
| 3-mercaptohexanol (CHEBI:77690) is a primary alcohol (CHEBI:15734) |
| Incoming Relation(s) |
| 3-mercaptohexyl acetate (CHEBI:77818) has functional parent 3-mercaptohexanol (CHEBI:77690) |
| IUPAC Name |
|---|
| 3-sulfanylhexan-1-ol |
| Synonyms | Source |
|---|---|
| 3-Sulfanyl-1-hexanol | HMDB |
| 3-Sulphanylhexan-1-ol | HMDB |
| 3-Mercapto-1-hexanol | NIST Chemistry WebBook |
| 3-Mercaptohexan-1-ol | NIST Chemistry WebBook |
| UniProt Name | Source |
|---|---|
| 3-sulfanyl-1-hexanol | UniProt |
| Manual Xrefs | Databases |
|---|---|
| HMDB0040152 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1846873 | Reaxys |
| CAS:51755-83-0 | ChemIDplus |
| CAS:51755-83-0 | NIST Chemistry WebBook |
| Citations |
|---|