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CHEBI:182977 - 3-Mercapto-3-methyl-1-butyl acetate
| Formula | C7H14O2S |
| Net Charge | 0 |
| Average Mass | 162.254 |
| Monoisotopic Mass | 162.07145 |
| SMILES | CC(=O)OCCC(C)(C)S |
| InChI | InChI=1S/C7H14O2S/c1-6(8)9-5-4-7(2,3)10/h10H,4-5H2,1-3H3 |
| InChIKey | HEZWKNVLHZGPOE-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Rattus norvegicus (ncbitaxon:10116) | Esophagus (BTO:0000959) | MetaboLights (MTBLS3014) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-Mercapto-3-methyl-1-butyl acetate (CHEBI:182977) is a carboxylic ester (CHEBI:33308) |
| IUPAC Name |
|---|
| (3-methyl-3-sulanylbutyl) acetate |
| Manual Xrefs | Databases |
|---|---|
| 4925940 | ChemSpider |
| HMDB0039227 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:50746-09-3 | ChemIDplus |