| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:54:14 UTC |
|---|
| Update Date | 2025-03-21 18:04:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00048696 |
|---|
| Frequency | 68.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H14NO5PS- |
|---|
| Molecular Mass | 291.0336 |
|---|
| SMILES | CCOP(=S)(OCC)Oc1ccc([N+]([O-])[O-])cc1 |
|---|
| InChI Key | BBDDAVMNELTILG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic thiophosphoric acids and derivatives |
|---|
| Subclass | thiophosphoric acid esters |
|---|
| Direct Parent | phenyl thiophosphates |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesorganic anionsorganic oxidesorganic oxoanionic compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsthiophosphate triesters |
|---|
| Substituents | monocyclic benzene moietyphenyl thiophosphatearomatic homomonocyclic compoundorganic oxideorganic anionorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidthiophosphate triesterorganic nitrogen compoundphenoxy compoundorganooxygen compoundorganic hyponitrite |
|---|
