| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:22:29 UTC |
|---|
| Update Date | 2025-03-25 01:01:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02252774 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H14N4O4S |
|---|
| Molecular Mass | 274.0736 |
|---|
| SMILES | NC(CSc1ncc(CC(N)C(=O)O)[nH]1)C(=O)O |
|---|
| InChI Key | FCRXZCXRHDQWHP-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 | cysteine and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkylarylthioethersalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalkylarylthioetherorganosulfur compoundaryl thioetherorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolesulfenyl compoundazacycleheteroaromatic compoundorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
