| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:51:33 UTC |
|---|
| Update Date | 2025-03-21 18:03:06 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00042228 |
|---|
| Frequency | 81.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14N2O3S |
|---|
| Molecular Mass | 254.0725 |
|---|
| SMILES | CSCCC(NC(=O)c1cccnc1)C(=O)O |
|---|
| InChI Key | XPOZUYPEUMYKMV-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 | methionine and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsnicotinamidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridinecarboxylic acids and derivativessecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
|---|
| Substituents | pyridine carboxylic acid or derivativesfatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundnicotinamideorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativessulfenyl compoundazacyclen-acyl-alpha-amino aciddialkylthioetherheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidpyridineorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
