| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:47:09 UTC |
|---|
| Update Date | 2025-03-21 18:01:13 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00031688 |
|---|
| Frequency | 116.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H4N2O3S |
|---|
| Molecular Mass | 171.9943 |
|---|
| SMILES | O=C(O)c1cc(=O)[nH]c(=S)[nH]1 |
|---|
| InChI Key | ISOQUWRYYNKKGX-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | diazines |
|---|
| Subclass | pyrimidines and pyrimidine derivatives |
|---|
| Direct Parent | pyrimidinecarboxylic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-thiopyrimidinesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidinethionespyrimidonesthioureasvinylogous amides |
|---|
| Substituents | thiourealactamcarboxylic acidpyrimidinethionearomatic heteromonocyclic compoundpyrimidoneorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-thiopyrimidinepyrimidine-6-carboxylic acidvinylogous amideazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiopyrimidine |
|---|
