| Record Information |
|---|
| HMDB Status | detected |
|---|
| Creation Date | 2024-02-21 14:38:05 UTC |
|---|
| Update Date | 2025-03-25 00:45:47 UTC |
|---|
| HMDB ID | HMDB0245086 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02151314 |
|---|
| Name | 2-Cyanoethyl dihydrogen phosphate |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C3H6NO4P |
|---|
| Molecular Mass | 151.0034 |
|---|
| SMILES | N#CCCOP(=O)(O)O |
|---|
| InChI Key | NJDPBWLDVFCXNP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | organic phosphoric acids and derivatives |
|---|
| Subclass | phosphate esters |
|---|
| Direct Parent | monoalkyl phosphates |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
|---|
| Substituents | aliphatic acyclic compoundnitrileorganic oxideorganic oxygen compoundmonoalkyl phosphateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
|---|
