| Record Information |
|---|
| HMDB Status | detected |
|---|
| Creation Date | 2024-02-20 23:40:41 UTC |
|---|
| Update Date | 2025-03-21 17:58:49 UTC |
|---|
| HMDB ID | HMDB0253198 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00016862 |
|---|
| Name | Homarine |
|---|
| Frequency | 252.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H8NO2+ |
|---|
| Molecular Mass | 138.055 |
|---|
| SMILES | C[n+]1ccccc1C(=O)O |
|---|
| InChI Key | BRTLKRNVNFIOPJ-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | pyridinecarboxylic acids and derivatives |
|---|
| Direct Parent | pyridine-2-carboxylic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesn-methylpyridinium compoundsorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
|---|
| Substituents | carboxylic acidn-methylpyridiniumaromatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridinecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativespyridine-2-carboxylic acidorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganic cationorganooxygen compound |
|---|
