| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:35:16 UTC |
|---|
| Update Date | 2025-03-21 17:56:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00004469 |
|---|
| Frequency | 1285.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H18N5O8P |
|---|
| Molecular Mass | 391.0893 |
|---|
| SMILES | CN(C)c1nc(=O)c2ncn(C3OC(COP(=O)(O)O)C(O)C3O)c2[nH]1 |
|---|
| InChI Key | IWJFVRMOIKWYNZ-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-diolsaminopyrimidines and derivativesazacyclic compoundsdialkylarylaminesheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazolesmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespurines and purine derivativespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
|---|
| Substituents | pentose phosphatepurine ribonucleoside monophosphatemonosaccharidepentose-5-phosphatepyrimidoneimidazopyrimidinepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compounddialkylarylamineorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundaminopyrimidineoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhypoxanthinehydrocarbon derivativepurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
|---|
