| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:38:47 UTC |
|---|
| Update Date | 2025-03-25 00:46:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02152974 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H4N2O3S |
|---|
| Molecular Mass | 171.9943 |
|---|
| SMILES | NC(=O)c1ccc([N+](=O)[O-])s1 |
|---|
| InChI Key | KOSBXZHFWKTMLO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | thiophenes |
|---|
| Subclass | nitrothiophenes |
|---|
| Direct Parent | 2-nitrothiophenes |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2,5-disubstituted thiophenes2-heteroaryl carboxamidescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amidespropargyl-type 1,3-dipolar organic compoundsthiophene carboxamides |
|---|
| Substituents | primary carboxylic acid amidearomatic heteromonocyclic compoundallyl-type 1,3-dipolar organic compoundcarboxylic acid derivativethiophene carboxamide2-heteroaryl carboxamideorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compound2-nitrothiopheneorganopnictogen compoundorganic oxoazaniumnitroaromatic compound2,5-disubstituted thiopheneheteroaromatic compoundorganic 1,3-dipolar compoundcarboxamide groupthiophene carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
|---|
