| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:23:05 UTC |
|---|
| Update Date | 2025-03-21 18:37:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00117858 |
|---|
| Frequency | 22.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H21N6O7PS |
|---|
| Molecular Mass | 436.093 |
|---|
| SMILES | CSCCNc1nc(N)nc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O |
|---|
| InChI Key | ICAVSVBAYJWTCK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | nucleosides, nucleotides, and analogues |
|---|
| Class | purine nucleotides |
|---|
| Subclass | purine ribonucleotides |
|---|
| Direct Parent | purine ribonucleoside monophosphates |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,2-diolsazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminessulfenyl compoundstetrahydrofurans |
|---|
| Substituents | pentose phosphatepurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphateimidazopyrimidineorganosulfur compoundpyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholsulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundphosphoric acid esterthioethermonoalkyl phosphatesecondary alcoholhydrocarbon derivativepurineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
|---|
