| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:37:29 UTC |
|---|
| Update Date | 2025-03-21 17:57:42 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00009631 |
|---|
| Frequency | 498.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C4H8NO4+ |
|---|
| Molecular Mass | 134.0448 |
|---|
| SMILES | O=C(O)CCC[N+](=O)O |
|---|
| InChI Key | ZIGGMJSERUJZIL-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | lipids and lipid-like molecules |
|---|
| Class | fatty acyls |
|---|
| Subclass | fatty acids and conjugates |
|---|
| Direct Parent | nitro fatty acids |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | c-nitro compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsstraight chain fatty acids |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupstraight chain fatty acidcarboxylic acidallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundnitro fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganooxygen compoundorganic hyponitrite |
|---|
