| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:22:50 UTC |
|---|
| Update Date | 2025-03-21 18:37:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00117234 |
|---|
| Frequency | 22.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H22N2O4S |
|---|
| Molecular Mass | 314.13 |
|---|
| SMILES | CCCC=CC=CC(=O)SCCNC(=O)CC(N)C(=O)O |
|---|
| InChI Key | ASPDAHNTVYIBBM-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 | asparagine and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha amino acidscarbonyl compoundscarbothioic s-esterscarboxylic acidsfatty acyl thioestershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amideorganosulfur compoundcarbothioic s-esterorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundasparagine or derivativesfatty acyl thioesterthiolactonethiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid estercarboxamide groupn-acyl-aminesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
