EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C6H14OS |
| Net Charge | 0 |
| Average Mass | 134.244 |
| Monoisotopic Mass | 134.07654 |
| SMILES | CC(O)CC(C)(C)S |
| InChI | InChI=1S/C6H14OS/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3 |
| InChIKey | FDBQLLMYSACLPB-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| synthetic microbial community (ncbitaxon:3229850) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS3129) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (+/-)-4-Mercapto-4-methyl-2-pentanol (CHEBI:193635) is a secondary alcohol (CHEBI:35681) |
| IUPAC Name |
|---|
| 4-methyl-4-sulanylpentan-2-ol |
| Manual Xrefs | Databases |
|---|---|
| 4934681 | ChemSpider |
| HMDB0032375 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:31539-84-1 | ChemIDplus |