| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:53:09 UTC |
|---|
| Update Date | 2025-03-21 18:03:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00046126 |
|---|
| Frequency | 72.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H20N5O14P3 |
|---|
| Molecular Mass | 551.022 |
|---|
| SMILES | CN(C)c1nc(=O)c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C3O)c2[nH]1 |
|---|
| InChI Key | KRBGVMBWSSHUIW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | nucleosides, nucleotides, and analogues |
|---|
| Class | purine nucleotides |
|---|
| Subclass | purine ribonucleotides |
|---|
| Direct Parent | purine ribonucleoside triphosphates |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,2-diolsaminopyrimidines and derivativesazacyclic compoundsdialkylarylaminesheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazolesmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespurine ribonucleoside monophosphatespurines and purine derivativespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
|---|
| Substituents | pentose phosphatepurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphatepyrimidoneimidazopyrimidinepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compounddialkylarylaminepurine ribonucleoside triphosphateorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundaminopyrimidineoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhypoxanthinehydrocarbon derivativepurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
|---|
