| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:46:39 UTC |
|---|
| Update Date | 2025-03-21 18:01:01 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00030472 |
|---|
| Frequency | 122.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C3H6N2O2S |
|---|
| Molecular Mass | 134.015 |
|---|
| SMILES | N=C(N)SCC(=O)O |
|---|
| InChI Key | BWUNQEXPLIAUOU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organosulfur compounds |
|---|
| Class | isothioureas |
|---|
| Subclass | isothioureas |
|---|
| Direct Parent | isothioureas |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboximidamidescarboxylic acidshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssulfenyl compounds |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundiminecarboximidamidecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundisothiourea |
|---|
