| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 11:15:17 UTC |
|---|
| Update Date | 2025-03-24 21:05:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01670731 |
|---|
| Frequency | 0.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C2H6NO4S+ |
|---|
| Molecular Mass | 140.0012 |
|---|
| SMILES | O=[N+](O)CCS(=O)O |
|---|
| InChI Key | MXSHQYMRIZGPQW-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | sulfinic acids and derivatives |
|---|
| Subclass | sulfinic acids |
|---|
| Direct Parent | sulfinic acids |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alkanesulfinic acids and derivativesc-nitro compoundshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | aliphatic acyclic compoundallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganosulfur compoundsulfinic acidorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundalkanesulfinic acid or derivativesorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganic hyponitrite |
|---|
