| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:45:42 UTC |
|---|
| Update Date | 2025-03-21 18:00:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00028311 |
|---|
| Frequency | 133.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16N2O2S |
|---|
| Molecular Mass | 264.0932 |
|---|
| SMILES | NC(CCSCc1c[nH]c2ccccc12)C(=O)O |
|---|
| InChI Key | QDYJBZVYCRTWQV-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 | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessulfenyl compoundsthia fatty acids |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidindoleorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundindole or derivativesmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
