| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:48:30 UTC |
|---|
| Update Date | 2025-03-21 18:01:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00034913 |
|---|
| Frequency | 102.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H19N3O12P2 |
|---|
| Molecular Mass | 447.0444 |
|---|
| SMILES | NC(Cc1cn(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)cn1)C(=O)O |
|---|
| InChI Key | AOFQLPAPWISELN-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 heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-diolsalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazole ribonucleosides and ribonucleotidesimidazolesmonoalkyl phosphatesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofurans |
|---|
| Substituents | imidazole ribonucleosidecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpentose phosphatepentose-5-phosphatealpha-amino acid or derivativescarboxylic acid derivativeorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclemonocarboxylic acid or derivativesphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
|---|
