| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:34:38 UTC |
|---|
| Update Date | 2025-03-21 17:56:41 UTC |
|---|
| HMDB ID | HMDB0059716 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00002964 |
|---|
| Name | 9-Methylxanthine |
|---|
| Frequency | 2453.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H6N4O2 |
|---|
| Molecular Mass | 166.0491 |
|---|
| SMILES | Cn1cnc2c(=O)[nH]c(=O)[nH]c21 |
|---|
| InChI Key | DHNIKYWYTSMDDA-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 |
|---|
