| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:14:53 UTC |
|---|
| Update Date | 2025-03-21 18:33:49 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00097770 |
|---|
| Frequency | 28.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H15N3O9P2 |
|---|
| Molecular Mass | 371.0284 |
|---|
| SMILES | Nc1ccn(C2CCC(COP(=O)(O)OP(=O)(O)O)O2)c(=O)n1 |
|---|
| InChI Key | FVSQWXITYSICAK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organic oxoanionic compounds |
|---|
| Subclass | organic pyrophosphates |
|---|
| Direct Parent | organic pyrophosphates |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesorganic carbonic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsprimary aminespyrimidonestetrahydrofurans |
|---|
| Substituents | aromatic heteromonocyclic compoundpyrimidonepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatehydrocarbon derivativeprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
|---|
