| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:05:58 UTC |
|---|
| Update Date | 2025-03-21 18:29:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00076466 |
|---|
| Frequency | 38.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H22N4O8S2 |
|---|
| Molecular Mass | 426.0879 |
|---|
| SMILES | NC(CCC(=O)C(=O)O)NC(CSSCC(N)C(=O)O)C(=O)NCC(=O)O |
|---|
| InChI Key | QXIDDBBZSTYZMO-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 | acyl glycines |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha amino acid amidesalpha amino acidsalpha-hydroxy ketonesalpha-keto acids and derivativesaminalsamino acidscarboxylic acidscysteine and derivativesdialkylaminesdialkyldisulfidesdipeptideshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundstricarboxylic acids and derivatives |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidtricarboxylic acid or derivativesaminalorganosulfur compoundalpha-hydroxy ketonealpha peptideketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesulfenyl compoundalpha-amino acid amidesecondary aminecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidedialkyldisulfideorganic oxygen compoundorganic disulfideketo acidcysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
|---|
