| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:56:10 UTC |
|---|
| Update Date | 2025-03-21 18:04:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00053141 |
|---|
| Frequency | 61.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H19N3O3S |
|---|
| Molecular Mass | 249.1147 |
|---|
| SMILES | NC(CCCCNC(=O)C(N)CS)C(=O)O |
|---|
| InChI Key | ZPLTXTROMWYDIX-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 | alpha amino acid amides |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alkylthiolsalpha amino acidscarbonyl compoundscarboxylic acidscysteine and derivativeshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amides |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidalpha-amino acid amidecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
|---|
