| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:13:37 UTC |
|---|
| Update Date | 2025-03-21 18:33:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00094666 |
|---|
| Frequency | 29.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12N2O11P2 |
|---|
| Molecular Mass | 373.9916 |
|---|
| SMILES | O=c1ccn(C2CC(O)C(OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1 |
|---|
| InChI Key | TVMOHWQRAHUSBF-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 compoundsorganopnictogen compoundsoxacyclic compoundspyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
|---|
| Substituents | lactamaromatic heteromonocyclic compoundpyrimidonepyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
|---|
