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CHEBI:191604 - 3-Mercapto-3-methylbutyl formate
| Formula | C6H12O2S |
| Net Charge | 0 |
| Average Mass | 148.227 |
| Monoisotopic Mass | 148.05580 |
| SMILES | CC(C)(S)CCOC=O |
| InChI | InChI=1S/C6H12O2S/c1-6(2,9)3-4-8-5-7/h5,9H,3-4H2,1-2H3 |
| InChIKey | VTAPYUYITKYXJB-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ulmus parvifolia (ncbitaxon:63058) | |||
| bark (BTO:0001301) | MetaboLights (MTBLS4572) | ||
| seed (BTO:0001226) | MetaboLights (MTBLS4572) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-Mercapto-3-methylbutyl formate (CHEBI:191604) is a carboxylic ester (CHEBI:33308) |
| IUPAC Name |
|---|
| (3-methyl-3-sulanylbutyl) ormate |
| Manual Xrefs | Databases |
|---|---|
| 458985 | ChemSpider |
| D70907 | KEGG DRUG |
| HMDB0036193 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:50746-10-6 | ChemIDplus |