EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C6H12O2S |
| Net Charge | 0 |
| Average Mass | 148.227 |
| Monoisotopic Mass | 148.05580 |
| SMILES | CCC(SC)C(=O)OC |
| InChI | InChI=1S/C6H12O2S/c1-4-5(9-3)6(7)8-2/h5H,4H2,1-3H3 |
| InChIKey | PBYSEUNXLXTEAN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Methyl 2-(methylthio)butyrate (CHEBI:165635) is a fatty acid ester (CHEBI:35748) |
| IUPAC Name |
|---|
| methyl 2-methylsulanylbutanoate |
| Manual Xrefs | Databases |
|---|---|
| 487322 | ChemSpider |
| HMDB0041306 | HMDB |
| LMFA07010938 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| CAS:51534-66-8 | ChemIDplus |