| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:29:34 UTC |
|---|
| Update Date | 2025-03-21 18:41:13 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00133091 |
|---|
| Frequency | 19.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H18N2O7S |
|---|
| Molecular Mass | 322.0835 |
|---|
| SMILES | NC(CCNC(CSCCC(=O)C(=O)O)C(=O)O)C(=O)O |
|---|
| InChI Key | YLMGUQKYWBMTBG-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 | alpha amino acidsalpha-hydroxy ketonesalpha-keto acids and derivativesamino acidscarboxylic acidsdialkylaminesdialkylthioethersfatty acylshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundssulfenyl compoundsthia fatty acidstricarboxylic acids and derivatives |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidtricarboxylic acid or derivativesorganosulfur compoundalpha-hydroxy ketoneketoneorganic oxideorganonitrogen compoundalpha-keto acidalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesulfenyl compounddialkylthioethersecondary aminethia fatty acidorganic oxygen compoundthioetherketo acidcysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
|---|
