| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:37:56 UTC |
|---|
| Update Date | 2025-03-21 17:57:51 UTC |
|---|
| HMDB ID | HMDB0001365 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00010680 |
|---|
| Name | Cotinine methonium ion |
|---|
| Frequency | 439.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H15N2O+ |
|---|
| Molecular Mass | 191.1179 |
|---|
| SMILES | CN1C(=O)CCC1c1ccc[n+](C)c1 |
|---|
| InChI Key | VHRXFWHPQMABEK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | pyrrolidinylpyridines |
|---|
| Direct Parent | pyrrolidinylpyridines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkaloids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsn-alkylpyrrolidinesn-methylpyridinium compoundsorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolidine-2-onestertiary carboxylic acid amides |
|---|
| Substituents | 2-pyrrolidonecarbonyl grouplactamn-methylpyridiniumaromatic heteromonocyclic compoundpyrrolidinylpyridinecarboxylic acid derivativeorganic oxidetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundorganic cationpyrrolidinepyrrolidoneazacyclen-alkylpyrrolidineheteroaromatic compoundmethylpyridinecarboxamide groupalkaloid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
