| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:21 UTC |
|---|
| Update Date | 2025-03-25 00:50:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02179313 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H20N5O7PS |
|---|
| Molecular Mass | 421.0821 |
|---|
| SMILES | CSCCNc1nc2c(ncn2C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]1 |
|---|
| InChI Key | YITFKMKGIAZEJL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbohydrates and carbohydrate conjugates |
|---|
| Direct Parent | pentose phosphates |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazoleslactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundspurines and purine derivativespyrimidonessecondary alcoholssecondary alkylarylaminessulfenyl compoundstetrahydrofuransvinylogous amides |
|---|
| Substituents | lactampentose phosphatepyrimidoneimidazopyrimidineorganosulfur compoundpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amidesulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacyclephosphoric acid esterthioethermonoalkyl phosphatesecondary alcoholhypoxanthinehydrocarbon derivativepurineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateamine |
|---|
