| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:55:15 UTC |
|---|
| Update Date | 2025-03-25 00:51:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02190475 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H31N6O16P3 |
|---|
| Molecular Mass | 728.1009 |
|---|
| SMILES | CC(=O)C1=CN(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)CC3O)C(O)C2O)C=CC1 |
|---|
| InChI Key | UQNGXXOLVBORBR-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 compoundsdihydropyridinesenaminesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsketonesmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofuransvinylogous amides |
|---|
| Substituents | carbonyl grouppentose phosphatepentose-5-phosphateimidazopyrimidinepyrimidineketoneorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compounddihydropyridineimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary aminepurineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateenamine |
|---|
