| 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 | DMID02160704 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16N5O8PS |
|---|
| Molecular Mass | 421.0457 |
|---|
| SMILES | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)SCC(=O)O)C(O)C1O |
|---|
| InChI Key | WULWMEMZVHCOBY-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-diolsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsorganothiophosphorus compoundsoxacyclic compoundsprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssulfenyl compoundstetrahydrofurans |
|---|
| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidpurine ribonucleoside monophosphatemonosaccharideimidazopyrimidineorganosulfur compoundcarboxylic acid derivativepyrimidineorganothiophosphorus compoundsaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholsulfenyl compoundazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
|---|
