| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:49 UTC |
|---|
| Update Date | 2025-03-21 18:34:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00100037 |
|---|
| Frequency | 27.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H15N2O6P |
|---|
| Molecular Mass | 278.0668 |
|---|
| SMILES | Cc1nc(CO)c(COP(=O)(O)O)c(CN)c1O |
|---|
| InChI Key | PQRWJBAIPXTPHD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridines and derivatives |
|---|
| Subclass | pyridoxamines |
|---|
| Direct Parent | pyridoxamine 5'-phosphates |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesaromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
|---|
| Substituents | aromatic alcoholalcoholaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinepyridoxamine 5'-phosphateorganic oxideorganic oxygen compoundphosphoric acid estermonoalkyl phosphateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amine2-halopyridineorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
|---|
