| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:09:04 UTC |
|---|
| Update Date | 2025-03-25 00:57:03 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02222317 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H21N5O5 |
|---|
| Molecular Mass | 387.1543 |
|---|
| SMILES | OCC1OC(n2cnc3c(NCCc4ccccc4O)ncnc32)C(O)C1O |
|---|
| InChI Key | IBKHCUGUGUXKCD-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-substituted imidazolesorganopnictogen compoundsoxacyclic compoundsprimary alcoholspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminestetrahydrofurans |
|---|
| Substituents | monocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoidmonosaccharideimidazopyrimidinepyrimidinesaccharidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranpurine nucleosideheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidsecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidpurineorganic nitrogen compoundorganooxygen compoundamine |
|---|
