| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:25:43 UTC |
|---|
| Update Date | 2025-03-21 18:39:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00123960 |
|---|
| Frequency | 20.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H15NO3S |
|---|
| Molecular Mass | 217.0773 |
|---|
| SMILES | C=CCSCCCC(O)=NCC(=O)O |
|---|
| InChI Key | DXZXEIDKDJODOL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | alpha amino acids |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | allyl sulfur compoundscarbonyl compoundscarboximidic acidscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compounds |
|---|
| Substituents | aliphatic acyclic compoundcarboximidic acidcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherallyl sulfur compoundorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
