| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:04:09 UTC |
|---|
| Update Date | 2025-03-21 18:28:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00072086 |
|---|
| Frequency | 41.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H13NO7S |
|---|
| Molecular Mass | 255.0413 |
|---|
| SMILES | O=C(O)CCC(NCCS(=O)(=O)O)C(=O)O |
|---|
| InChI Key | UWRLZJRHSWQCQV-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 | glutamic acid and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidssulfonyls |
|---|
| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupcarboxylic acidamino acidorganosulfonic acidfatty acidorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic amineglutamic acid or derivativessecondary aminesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
