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CHEBI:156144 - 3-mercaptopentanol
| Formula | C5H12OS |
| Net Charge | 0 |
| Average Mass | 120.217 |
| Monoisotopic Mass | 120.06089 |
| SMILES | CCC(S)CCO |
| InChI | InChI=1S/C5H12OS/c1-2-5(7)3-4-6/h5-7H,2-4H2,1H3 |
| InChIKey | PRJACVDGNSZBLE-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Humulus lupulus (ncbitaxon:3486) | - | PubMed (30874436) | |
| Vitis vinifera (ncbitaxon:29760) | - | PubMed (17249683) | |
| Homo sapiens (ncbitaxon:9606) | - | PubMed (17191898) | Found in human axilla secretions. |
| Roles Classification |
|---|
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). 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-mercaptopentanol (CHEBI:156144) has parent hydride pentane (CHEBI:37830) |
| 3-mercaptopentanol (CHEBI:156144) has role flavouring agent (CHEBI:35617) |
| 3-mercaptopentanol (CHEBI:156144) has role human metabolite (CHEBI:77746) |
| 3-mercaptopentanol (CHEBI:156144) has role plant metabolite (CHEBI:76924) |
| 3-mercaptopentanol (CHEBI:156144) is a alkanethiol (CHEBI:47908) |
| 3-mercaptopentanol (CHEBI:156144) is a primary alcohol (CHEBI:15734) |
| IUPAC Name |
|---|
| 3-sulfanylpentan-1-ol |
| Synonyms | Source |
|---|---|
| 3-mercapto-1-pentanol | ChemIDplus |
| 3-mercaptopentan-1-ol | ChemIDplus |
| 3-mercaptopentanol | ChEBI |
| 3-sulfanyl-1-pentanol | ChEBI |
| UniProt Name | Source |
|---|---|
| 3-sulfanyl-1-pentanol | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-21111 | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| CAS:548740-99-4 | ChemIDplus |
| Citations |
|---|