| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 07:18:41 UTC |
|---|
| Update Date | 2025-03-24 20:00:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01102613 |
|---|
| Frequency | 1.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H5N3O2 |
|---|
| Molecular Mass | 139.0382 |
|---|
| SMILES | Cc1ncc([N+](=O)[O-])cn1 |
|---|
| InChI Key | NLGWYOYUTYUEQT-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 | nitroaromatic compounds |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrimidines and pyrimidine derivatives |
|---|
| Substituents | nitroaromatic compoundaromatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrimidinepropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganoheterocyclic compoundorganic hyponitrite |
|---|
