| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:42:40 UTC |
|---|
| Update Date | 2025-03-21 17:59:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00021266 |
|---|
| Frequency | 188.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H14N2O7S |
|---|
| Molecular Mass | 282.0522 |
|---|
| SMILES | NC(CCC(=O)NC(CS(=O)O)C(=O)O)C(=O)O |
|---|
| InChI Key | IVDYXTIMCRMWKJ-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 | dipeptides |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alkanesulfinic acids and derivativesalpha amino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugatesglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amidessulfinic acids |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativessulfinic acid derivativefatty amidefatty acidalpha-amino acid or derivativesorganosulfur compoundsulfinic acidalkanesulfinic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidcarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
