| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:06:06 UTC |
|---|
| Update Date | 2025-03-21 18:29:19 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00076776 |
|---|
| Frequency | 38.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H5N5O4S |
|---|
| Molecular Mass | 231.0062 |
|---|
| SMILES | Nc1nc(OS(=O)(=O)O)nc2nc[nH]c12 |
|---|
| InChI Key | MPYMAKRLZBGCRR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic sulfuric acids and derivatives |
|---|
| Subclass | arylsulfates |
|---|
| Direct Parent | arylsulfates |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessulfuric acid monoesters |
|---|
| Substituents | sulfuric acid monoesterimidazopyrimidinepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundarylsulfateimidolactamorganoheterocyclic compoundazoleazacycleheteroaromatic compoundorganic oxygen compoundsulfate-esterhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundsulfuric acid esteramineorganooxygen compound |
|---|
