| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-21 00:00:45 UTC |
|---|
| Update Date | 2025-03-21 18:06:35 UTC |
|---|
| HMDB ID | HMDB0011603 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00063938 |
|---|
| Name | 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone |
|---|
| Frequency | 48.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H13N3O2 |
|---|
| Molecular Mass | 207.1008 |
|---|
| SMILES | CN(CCCC(=O)c1cccnc1)N=O |
|---|
| InChI Key | FLAQQSHRLBFIEZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | aryl alkyl ketones |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic n-nitroso compoundsorganic oxidesorganooxygen compoundsorganopnictogen compounds |
|---|
| Substituents | organic nitroso compoundaryl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundmethylpyridineorganic n-nitroso compoundorganic oxidepyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compound |
|---|
