| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:38:21 UTC |
|---|
| Update Date | 2025-03-25 00:45:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02151945 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12N2O5S |
|---|
| Molecular Mass | 248.0467 |
|---|
| SMILES | NC(C(=O)O)C(=O)C1NC(CC(=O)O)CS1 |
|---|
| InChI Key | KVEVVVIEHHXZRG-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 | alpha amino acids |
|---|
| Geometric Descriptor | aliphatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,3-dicarbonyl compoundsamino acidsazacyclic compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdialkylaminesdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundsthia fatty acidsthiazolidinesthiohemiaminal derivatives |
|---|
| Substituents | fatty acylbeta-hydroxy ketonecarbonyl groupcarboxylic acidamino acidbeta-keto acidketoneorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycledialkylthioethersecondary aminethia fatty acidorganic oxygen compoundthioetherketo aciddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compoundaminethiazolidine |
|---|
