| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:39:13 UTC |
|---|
| Update Date | 2025-03-21 17:58:20 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00013684 |
|---|
| Frequency | 325.9 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H19N5O8 |
|---|
| Molecular Mass | 397.1234 |
|---|
| SMILES | O=C(O)CCC(Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O)C(=O)O |
|---|
| InChI Key | QTORFWTWQIOBQV-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 amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglutamic acid and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminestetrahydrofurans |
|---|
| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidmonosaccharidealpha-amino acid or derivativesimidazopyrimidinecarboxylic acid derivativepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranpurine nucleosideheteroaromatic compoundglutamic acid or derivativessecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compoundamine |
|---|
