| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:45:47 UTC |
|---|
| Update Date | 2025-03-25 00:48:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02168800 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H32N4O6S2 |
|---|
| Molecular Mass | 452.1763 |
|---|
| SMILES | CC(C)CC(NC(=O)C(CSSCC(N)C(=O)O)NC(=O)C(N)C(C)C)C(=O)O |
|---|
| InChI Key | UCJLJEACVACEMD-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic polymers |
|---|
| Class | polypeptides |
|---|
| Subclass | polypeptides |
|---|
| Direct Parent | polypeptides |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativesdialkyldisulfidesdicarboxylic acids and derivativeshydrocarbon derivativesleucine 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 oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativespolypeptidemethyl-branched fatty acidsulfenyl compoundalpha-amino acid amiden-acyl-alpha-amino acidvaline or derivativescarboxamide groupbranched fatty acidn-acyl-aminen-substituted-alpha-amino acidsecondary carboxylic acid amidedialkyldisulfideorganic oxygen compoundorganic disulfidecysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
