| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 13:46:54 UTC |
|---|
| Update Date | 2025-03-25 00:27:20 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02030941 |
|---|
| Frequency | 0.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C3H9N2O2+ |
|---|
| Molecular Mass | 105.0659 |
|---|
| SMILES | CCCO[N+](N)=O |
|---|
| InChI Key | KRCZOGVJQKAOCD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic 1,3-dipolar compounds |
|---|
| Class | allyl-type 1,3-dipolar organic compounds |
|---|
| Subclass | organic nitro compounds |
|---|
| Direct Parent | nitrite esters |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesorganic cationsorganic nitritesorganic nitrogen compoundsorganic oxidesorganooxygen compounds |
|---|
| Substituents | aliphatic acyclic compoundorganic oxideorganic oxygen compoundhydrocarbon derivativenitrite esterorganic nitrogen compoundorganic cationorganic nitriteorganooxygen compound |
|---|
