| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:53:00 UTC |
|---|
| Update Date | 2025-03-25 00:51:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02185320 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H19N3O3S |
|---|
| Molecular Mass | 249.1147 |
|---|
| SMILES | NC(=O)C(CS)NCCCCC(N)C(=O)O |
|---|
| InChI Key | PQISIDZVDUTCSW-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 | cysteine and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alkylthiolsalpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfur compoundsprimary carboxylic acid amides |
|---|
| Substituents | primary carboxylic acid amidefatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidsecondary aliphatic aminesecondary aminecarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compoundamine |
|---|
