| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:17:56 UTC |
|---|
| Update Date | 2025-03-21 18:35:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00105295 |
|---|
| Frequency | 25.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H14N2O10P2 |
|---|
| Molecular Mass | 372.0124 |
|---|
| SMILES | O=c1ccn(C2CCC(COP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1 |
|---|
| InChI Key | GRVCKVKTKCRMAH-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 derivativeslactamsmonoalkyl phosphatesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidonestetrahydrofuransvinylogous amides |
|---|
| Substituents | vinylogous amidecarbonic acid derivativelactamaromatic heteromonocyclic compoundazacycletetrahydrofuranheteroaromatic compoundpyrimidoneorganic pyrophosphatepyrimidineoxacycleorganic oxidephosphoric acid estermonoalkyl phosphateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganoheterocyclic compoundorganooxygen compound |
|---|
