EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:169598 - 2-(4-Methyl-5-thiazolyl)ethyl butanoate
| Formula | C10H15NO2S |
| Net Charge | 0 |
| Average Mass | 213.302 |
| Monoisotopic Mass | 213.08235 |
| SMILES | CCCC(=O)OCCc1scnc1C |
| InChI | InChI=1S/C10H15NO2S/c1-3-4-10(12)13-6-5-9-8(2)11-7-14-9/h7H,3-6H2,1-2H3 |
| InChIKey | GDRZNYCKSKHESZ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(4-Methyl-5-thiazolyl)ethyl butanoate (CHEBI:169598) is a thiazoles (CHEBI:48901) |
| IUPAC Name |
|---|
| 2-(4-methyl-1,3-thiazol-5-yl)ethyl butanoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0032418 | HMDB |
| 2289906 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:94159-31-6 | ChemIDplus |