| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:18:21 UTC |
|---|
| Update Date | 2025-03-21 18:35:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00106316 |
|---|
| Frequency | 25.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H18N3O2+ |
|---|
| Molecular Mass | 212.1394 |
|---|
| SMILES | Cn1cc(CC(C(=O)O)[N+](C)(C)C)cn1 |
|---|
| InChI Key | ZWCNFWBBJXRBEV-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | alpha amino acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aminesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundspyrazolestetraalkylammonium salts |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrazoleorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltorganoheterocyclic compoundazoletetraalkylammonium saltazacyclequaternary ammonium saltheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
|---|
