| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:06 UTC |
|---|
| Update Date | 2025-03-25 00:50:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02181058 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H12N2O6S |
|---|
| Molecular Mass | 276.0416 |
|---|
| SMILES | O=C(O)CC(NC1=NC(C(=O)O)CCS1)C(=O)O |
|---|
| InChI Key | VGFNIFZRTQLMDM-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 | aspartic acid and derivatives |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,3-thiazinesalpha amino acidsazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidshydrocarbon derivativesisothioureasorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstricarboxylic acids and derivatives |
|---|
| Substituents | carbonyl groupcarboxylic acidazacycletricarboxylic acid or derivativesorganic 1,3-dipolar compoundcarboximidamidepropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundaspartic acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundmeta-thiazinehydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundisothiourea |
|---|
