| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:40:07 UTC |
|---|
| Update Date | 2025-03-25 00:46:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02156075 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H16N2O5S |
|---|
| Molecular Mass | 300.078 |
|---|
| SMILES | CSCCC(NC(=O)CNC(=O)c1ccco1)C(=O)O |
|---|
| InChI Key | GGUXUAPWOGMQPO-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 heteromonocyclic compounds |
|---|
| Alternative Parents | 2-heteroaryl carboxamidesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylsfuroic acid and derivativesheteroaromatic compoundshydrocarbon derivativesmethionine and derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
|---|
| Substituents | fatty acylfurancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-amino acid or derivativesorganosulfur compound2-heteroaryl carboxamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesfuroic acid or derivativessulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino aciddialkylthioetherheteroaromatic compoundcarboxamide groupn-substituted-alpha-amino acidalpha-dipeptideoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
