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CHEBI:191527 - 3-[(3-Methylbutyl)nitrosoamino]-2-butanone
| Formula | C9H18N2O2 |
| Net Charge | 0 |
| Average Mass | 186.255 |
| Monoisotopic Mass | 186.13683 |
| SMILES | CC(=O)C(C)N(CCC(C)C)N=O |
| InChI | InChI=1S/C9H18N2O2/c1-7(2)5-6-11(10-13)8(3)9(4)12/h7-8H,5-6H2,1-4H3 |
| InChIKey | SJEKZTPKCBODER-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-[(3-Methylbutyl)nitrosoamino]-2-butanone (CHEBI:191527) is a nitrosamine (CHEBI:35803) |
| IUPAC Name |
|---|
| N-(3-methylbutyl)-N-(3-oxobutan-2-yl)nitrous amide |
| Manual Xrefs | Databases |
|---|---|
| HMDB0033553 | HMDB |
| 46418 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:71016-15-4 | ChemIDplus |