| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:15:56 UTC |
|---|
| Update Date | 2025-03-25 00:59:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02237675 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14N4O6 |
|---|
| Molecular Mass | 310.0913 |
|---|
| SMILES | Nc1nc2nc(OC3OC(CO)C(O)C3O)ccc2c(=O)[nH]1 |
|---|
| InChI Key | MTYJAXWRQFPYKN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyridopyrimidines |
|---|
| Subclass | pyrido[2,3-d]pyrimidines |
|---|
| Direct Parent | pyrido[2,3-d]pyrimidines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesacetalsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary alcoholsprimary aminespyrimidonessecondary alcoholstetrahydrofurans |
|---|
| Substituents | lactampolyhalopyridinemonosaccharidepyrimidonepyrimidinesaccharideorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineprimary alcoholalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclepyridineorganic oxygen compoundpyrido[2,3-d]pyrimidinesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
|---|
