| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:24:19 UTC |
|---|
| Update Date | 2025-03-21 18:38:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00120744 |
|---|
| Frequency | 21.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H19N5O10P2 |
|---|
| Molecular Mass | 455.0607 |
|---|
| SMILES | CN(C)c1nc(=O)c2ncn(C3CC(O)C(COP(=O)(O)OP(=O)(O)O)O3)c2[nH]1 |
|---|
| InChI Key | RYCAFWSWGHQEOR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | nucleosides, nucleotides, and analogues |
|---|
| Class | purine nucleotides |
|---|
| Subclass | purine deoxyribonucleotides |
|---|
| Direct Parent | purine 2'-deoxyribonucleoside diphosphates |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | aminopyrimidines and derivativesazacyclic compoundsdialkylarylaminesheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazolesmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatespurines and purine derivativespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
|---|
| Substituents | pentose phosphatemonosaccharidepyrimidoneimidazopyrimidinepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compounddialkylarylamineorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundpurine 2'-deoxyribonucleoside diphosphateorganic pyrophosphateaminopyrimidineoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhypoxanthinehydrocarbon derivativepurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
|---|
