| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:15:17 UTC |
|---|
| Update Date | 2025-03-25 00:59:17 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02236242 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H20N2O4S |
|---|
| Molecular Mass | 336.1144 |
|---|
| SMILES | CSCCC(NC(=O)C(N)Cc1coc2ccccc12)C(=O)O |
|---|
| InChI Key | GAMRAELZONUALV-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 | dipeptides |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha amino acid amidesalpha amino acidsbenzenoidsbenzofuranscarbonyl compoundscarboxylic acidsdialkylthioethersfatty amidesfuransheteroaromatic compoundshydrocarbon derivativesmethionine and derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
|---|
| Substituents | fatty acylfurancarbonyl groupcarboxylic acidfatty amidealpha-amino acid or derivativesorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativessulfenyl compoundbenzofuranalpha-amino acid amiden-acyl-alpha-amino aciddialkylthioetherheteroaromatic compoundcarboxamide groupalpha-dipeptideoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
