| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:37:03 UTC |
|---|
| Update Date | 2025-03-25 00:45:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02148913 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H20N2O3S2 |
|---|
| Molecular Mass | 304.0915 |
|---|
| SMILES | NC(=O)CCCCC1=C(CCC(N)C(=O)O)CSS1 |
|---|
| InChI Key | GWGLQUSVTSNTND-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 acids |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,2-dithiolescarbonyl compoundscarboxylic acidsfatty amidesheterocyclic fatty acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
|---|
| Substituents | primary carboxylic acid amidefatty acyl1,2-dithiolecarbonyl groupcarboxylic acidheterocyclic fatty acidfatty amideorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino aciddithioleorganopnictogen compoundorganoheterocyclic compoundcarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundorganic disulfidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
