| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 13:14:30 UTC |
|---|
| Update Date | 2025-03-24 21:59:04 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01953643 |
|---|
| Frequency | 0.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H7NO2S |
|---|
| Molecular Mass | 145.0197 |
|---|
| SMILES | C=CCS(=O)(=O)CC#N |
|---|
| InChI Key | ZRRPMVSHICWZKR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organosulfur compounds |
|---|
| Class | sulfonyls |
|---|
| Subclass | sulfones |
|---|
| Direct Parent | sulfones |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | allyl sulfur compoundshydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | aliphatic acyclic compoundnitrileallyl sulfur compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrilesulfone |
|---|
