| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:05:49 UTC |
|---|
| Update Date | 2025-03-21 18:29:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00076073 |
|---|
| Frequency | 38.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H27N3O5S3 |
|---|
| Molecular Mass | 413.1113 |
|---|
| SMILES | CS(=O)CCCCNC(=S)SCC(NCCCC(N)C(=O)O)C(=O)O |
|---|
| InChI Key | OHQAFJDKPGDAPL-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 acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesdithiocarbamic acid estersfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundssulfenyl compoundssulfinyl compoundssulfoxides |
|---|
| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidfatty acidorganosulfur compoundorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundsecondary aliphatic aminesulfenyl compoundsecondary aminedithiocarbamic acid esterorganic oxygen compoundcysteine or derivativessulfoxidedicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
|---|
