| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:27:54 UTC |
|---|
| Update Date | 2025-03-21 18:40:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00129184 |
|---|
| Frequency | 19.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H25N3O4S3 |
|---|
| Molecular Mass | 419.1007 |
|---|
| SMILES | CC(=O)NC(CSC(=S)NCCSCc1ccc(CN(C)C)o1)C(=O)O |
|---|
| InChI Key | FEXBDLJMNQFWHX-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 | n-acyl-alpha amino acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetamidesalpha amino acidsamino acidsaralkylaminescarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdithiocarbamic acid estersfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidessulfenyl compoundstrialkylamines |
|---|
| Substituents | furancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidorganosulfur compoundaralkylamineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary amineorganoheterocyclic compoundacetamidesulfenyl compoundn-acyl-alpha-amino aciddialkylthioetherheteroaromatic compoundtertiary aliphatic aminecarboxamide groupoxacyclesecondary carboxylic acid amidedithiocarbamic acid estermonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
|---|
