| Record Information |
|---|
| HMDB Status | quantified |
|---|
| Creation Date | 2024-02-20 23:33:54 UTC |
|---|
| Update Date | 2025-03-21 17:56:25 UTC |
|---|
| HMDB ID | HMDB0001860 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00001221 |
|---|
| Name | Paraxanthine |
|---|
| Frequency | 4816.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H8N4O2 |
|---|
| Molecular Mass | 180.0647 |
|---|
| SMILES | Cn1c(=O)[nH]c2ncn(C)c2c1=O |
|---|
| InChI Key | QUNWUDVFRNGTCO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | imidazopyrimidines |
|---|
| Subclass | purines and purine derivatives |
|---|
| Direct Parent | purinones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidonesvinylogous amides |
|---|
| Substituents | vinylogous amidecarbonic acid derivativelactamazacycleheteroaromatic compoundpyrimidonepurinonepyrimidineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundazolen-substituted imidazole |
|---|
