| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:12:56 UTC |
|---|
| Update Date | 2025-03-21 18:32:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00093071 |
|---|
| Frequency | 30.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H18N5O8P |
|---|
| Molecular Mass | 391.0893 |
|---|
| SMILES | CN(C)c1nc(=O)c2cnn(C3OC(COP(=O)(O)O)C(O)C3O)c2[nH]1 |
|---|
| InChI Key | XQCADYITMCNRLQ-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 | 1,2-diolsaminopyrimidines and derivativesazacyclic compoundsdialkylarylaminesheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrazolespyrazolo[3,4-d]pyrimidinespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
|---|
| Substituents | pentose phosphatepentose-5-phosphatepyrimidonepyrazolepyrimidineorganic oxidepyrazolopyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compounddialkylarylamineorganoheterocyclic compoundazole1,2-diolpyrazolo[3,4-d]pyrimidinealcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundaminopyrimidineoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
|---|
