| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:11 UTC |
|---|
| Update Date | 2025-03-25 00:50:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02178925 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H23N3O6S |
|---|
| Molecular Mass | 349.1308 |
|---|
| SMILES | CSCCC(NC(=O)C(N)C(=O)O)C(=O)NC(C(=O)O)C(C)C |
|---|
| InChI Key | QZDCHSGQULOIDK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic polymers |
|---|
| Class | polypeptides |
|---|
| Subclass | polypeptides |
|---|
| Direct Parent | polypeptides |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | 1,3-dicarbonyl compoundsalpha amino acid amidesalpha amino acidscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesmethionine and derivativesmethyl-branched fatty acidsmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspeptidessecondary carboxylic acid amidessulfenyl compoundsvaline and derivatives |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidefatty acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativealpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativespolypeptidemethyl-branched fatty acidsulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino aciddialkylthioethervaline or derivativescarboxamide groupbranched fatty acidn-acyl-aminen-substituted-alpha-amino acidsecondary carboxylic acid amideorganic oxygen compoundthioethermethionine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
|---|
