| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 13:01:32 UTC |
|---|
| Update Date | 2025-03-24 21:53:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01923042 |
|---|
| Frequency | 0.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H9NOS |
|---|
| Molecular Mass | 131.0405 |
|---|
| SMILES | CCCS(=O)CC#N |
|---|
| InChI Key | IQSJMNJJKRSKGP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organosulfur compounds |
|---|
| Class | sulfoxides |
|---|
| Subclass | sulfoxides |
|---|
| Direct Parent | sulfoxides |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfinyl compounds |
|---|
| Substituents | aliphatic acyclic compoundnitrileorganic oxideorganic oxygen compoundsulfinyl compoundorganonitrogen compoundsulfoxideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
|---|
