| Record Information |
|---|
| HMDB Status | detected |
|---|
| Creation Date | 2024-02-21 01:47:33 UTC |
|---|
| Update Date | 2025-03-21 20:03:33 UTC |
|---|
| HMDB ID | HMDB0250857 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00313732 |
|---|
| Name | Dapansutrile |
|---|
| Frequency | 6.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C4H7NO2S |
|---|
| Molecular Mass | 133.0197 |
|---|
| SMILES | CS(=O)(=O)CCC#N |
|---|
| InChI Key | LQFRYKBDZNPJSW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organosulfur compounds |
|---|
| Class | sulfonyls |
|---|
| Subclass | sulfones |
|---|
| Direct Parent | sulfones |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | aliphatic acyclic compoundnitrileorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrilesulfone |
|---|
