| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 12:40:02 UTC |
|---|
| Update Date | 2025-03-24 21:43:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01872338 |
|---|
| Frequency | 0.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C4H7NO4 |
|---|
| Molecular Mass | 133.0375 |
|---|
| SMILES | CC(=O)CCO[N+](=O)[O-] |
|---|
| InChI Key | SQFMCLNZTZWUJY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic nitric acids and derivatives |
|---|
| Subclass | nitrate esters |
|---|
| Direct Parent | nitrate esters |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alkyl nitrateshydrocarbon derivativesketonesorganic nitro compoundsorganic nitrogen compoundsorganic oxides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl grouporganic nitratenitrate esterallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganic nitro compoundketoneorganic oxideorganic oxygen compoundalkyl nitratehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
|---|
