| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:11:26 UTC |
|---|
| Update Date | 2025-03-21 18:32:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00089408 |
|---|
| Frequency | 31.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H20N4O7S |
|---|
| Molecular Mass | 364.1053 |
|---|
| SMILES | NC(CCC(=O)NC(CSN=O)C(=O)CCC(N)C(=O)O)C(=O)O |
|---|
| InChI Key | JJWJGMQGXBASLA-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 | n-epsilon-acyl lysines |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carboxylic acidsdicarboxylic acids and derivativesglutamine and derivativeshydrocarbon derivativesketonesmedium-chain fatty acidsmonoalkylaminesn-acyl aminesnitrosothiolsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compounds |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty amidefatty acidorganosulfur compoundnitrosothiolketoneorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidorganic s-nitroso compoundorganic nitroso compoundsulfenyl compoundn-epsilon-acetyl-lysinecarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundnitrosothiol-group |
|---|
