| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:51:08 UTC |
|---|
| Update Date | 2025-03-21 18:02:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00041229 |
|---|
| Frequency | 83.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H14N4O12P2 |
|---|
| Molecular Mass | 420.0083 |
|---|
| SMILES | Nc1nc(=O)n(C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1 |
|---|
| InChI Key | UENFWAAKJDDEJA-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-diolsaminotriazinesazacyclic compoundshalo-s-triazinesheteroaromatic compoundshydrocarbon derivativesmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundsprimary aminessecondary alcoholstetrahydrofuranstriazinones |
|---|
| Substituents | amino-1,3,5-triazinearomatic heteromonocyclic compoundpentose phosphatepentose-5-phosphateorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholcarbonic acid derivativeazacycletetrahydrofuranaminotriazineheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid esterhalo-s-triazinemonoalkyl phosphatesecondary alcoholtriazinehydrocarbon derivative1,3,5-triazineprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminetriazinonealkyl phosphate |
|---|
