| Record Information |
|---|
| HMDB Status | quantified |
|---|
| Creation Date | 2024-02-20 23:33:40 UTC |
|---|
| Update Date | 2025-03-21 17:56:12 UTC |
|---|
| HMDB ID | HMDB0000292 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00000667 |
|---|
| Name | Xanthine |
|---|
| Frequency | 16689.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H4N4O2 |
|---|
| Molecular Mass | 152.0334 |
|---|
| SMILES | O=c1[nH]c(=O)c2[nH]cnc2[nH]1 |
|---|
| InChI Key | LRFVTYWOQMYALW-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 derivativesimidazoleslactamsorganic 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 compoundazole |
|---|
