| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:22:27 UTC |
|---|
| Update Date | 2025-03-25 01:01:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02252710 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C4H9Cl2NO7P2S |
|---|
| Molecular Mass | 346.8952 |
|---|
| SMILES | NC(CSP(=O)(O)C(Cl)(Cl)P(=O)(O)O)C(=O)O |
|---|
| InChI Key | MERVTIJGEUSKKR-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 | aliphatic acyclic compounds |
|---|
| Alternative Parents | alkyl chloridesalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganic phosphonic acids and derivativesorganochloridesorganonitrogen compoundsorganopnictogen compoundsorganothiophosphorus compoundssulfenyl compounds |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalkyl chlorideorganochlorideorganosulfur compoundorganohalogen compoundorganothiophosphorus compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganophosphorus compoundalkyl halideorganophosphonic acid derivativesulfenyl compoundmonocarboxylic acid or derivativesorganic oxygen compoundcysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
