| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:01:05 UTC |
|---|
| Update Date | 2025-03-25 00:32:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02064497 |
|---|
| Frequency | 0.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C4H7NO3+ |
|---|
| Molecular Mass | 117.042 |
|---|
| SMILES | C[N+](O)C=CC(=O)O |
|---|
| InChI Key | XWQUMVRYNCNRCX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | vinylogous amides |
|---|
| Subclass | vinylogous amides |
|---|
| Direct Parent | vinylogous amides |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-organohydroxylaminesorganic cationsorganic oxidesorganopnictogen compounds |
|---|
| Substituents | vinylogous amidealiphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativen-organohydroxylamineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganooxygen compound |
|---|
