| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:37:51 UTC |
|---|
| Update Date | 2025-03-25 00:45:43 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02150800 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H23NO3S |
|---|
| Molecular Mass | 261.1399 |
|---|
| SMILES | CCCCCCC(SCC(N)C(=O)O)C(C)=O |
|---|
| InChI Key | OXDKTPUGCZJIAD-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 | cysteine and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha amino acidscarboxylic acidsdialkylthioethershydrocarbon derivativesketonesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
