| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:11:55 UTC |
|---|
| Update Date | 2025-03-21 18:32:23 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00090575 |
|---|
| Frequency | 31.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14N4O6S |
|---|
| Molecular Mass | 330.0634 |
|---|
| SMILES | CSCC1OC(n2c(=O)nc(O)c3nc(O)[nH]c32)C(O)C1O |
|---|
| InChI Key | MFEKWLLBMOGEAI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | imidazopyrimidines |
|---|
| Subclass | purines and purine derivatives |
|---|
| Direct Parent | xanthines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,2-diolsalkaloids and derivativesazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeshydroxypyrimidinesimidazolesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspurinonespyrimidonessecondary alcoholssulfenyl compoundstetrahydrofurans |
|---|
| Substituents | monosaccharidepyrimidonehydroxypyrimidineorganosulfur compoundpurinonepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazole1,2-diolalcoholcarbonic acid derivativesulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundxanthineoxacyclealkaloid or derivativesorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
