| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:42:14 UTC |
|---|
| Update Date | 2025-03-25 00:47:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02160706 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H17N5O9 |
|---|
| Molecular Mass | 387.1026 |
|---|
| SMILES | Nc1nc2c(c(=O)[nH]1)n(CC(O)C(=O)O)c(=O)n2C1OC(CO)C(O)C1O |
|---|
| InChI Key | VQHKFXXDSYJNRS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | nucleosides, nucleotides, and analogues |
|---|
| Class | purine nucleosides |
|---|
| Subclass | purine nucleosides |
|---|
| Direct Parent | purine nucleosides |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha hydroxy acids and derivativesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazoleslactamsmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary aminespyrimidonessecondary alcoholstetrahydrofuransureasvinylogous amides |
|---|
| Substituents | carbonyl grouplactamcarboxylic acidamino acid or derivativesamino acidalpha-hydroxy acidmonosaccharidepyrimidoneimidazopyrimidinecarboxylic acid derivativepurinonepyrimidineureasaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranpurine nucleosideheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhypoxanthinehydrocarbon derivativepurineprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
