EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:228760 - 2-{[(cyanoimino)(methylthio)methyl]amino}propane
| Formula | C6H11N3S |
| Net Charge | 0 |
| Average Mass | 157.242 |
| Monoisotopic Mass | 157.06737 |
| SMILES | CS/C(=N\C(C)C)NC#N |
| InChI | InChI=1S/C6H11N3S/c1-5(2)9-6(10-3)8-4-7/h5H,1-3H3,(H,8,9) |
| InChIKey | BRDZPPATOYKRKL-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | MetaboLights (MTBLS8662) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-{[(cyanoimino)(methylthio)methyl]amino}propane (CHEBI:228760) is a imidothiocarbamic ester (CHEBI:38914) |
| IUPAC Name |
|---|
| methyl N-cyano-N'-propan-2-ylcarbamimidothioate |
| Manual Xrefs | Databases |
|---|---|
| 468184 | ChemSpider |