| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 03:29:30 UTC |
|---|
| Update Date | 2025-03-21 22:20:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00555150 |
|---|
| Frequency | 3.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C4H10NO3+ |
|---|
| Molecular Mass | 120.0655 |
|---|
| SMILES | CC(C)(CO)[N+](=O)O |
|---|
| InChI Key | QLTHNQOFYOPCFI-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 | c-nitro compounds |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alcohols and polyolshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | alcoholaliphatic acyclic compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganooxygen compoundorganic hyponitrite |
|---|
