| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:30:33 UTC |
|---|
| Update Date | 2025-03-21 18:41:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00135288 |
|---|
| Frequency | 18.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H32N2O4S |
|---|
| Molecular Mass | 384.2083 |
|---|
| SMILES | CCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)C |
|---|
| InChI Key | JMGCJKFNCKXNQM-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 | beta amino acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarbothioic s-esterscarboxylic acids and derivativesfatty acyl thioestershydrocarbon derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amidessulfenyl compoundsthioestersthiolactones |
|---|
| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupfatty amideorganosulfur compoundcarbothioic s-esterorganic oxideorganonitrogen compoundorganopnictogen compoundfatty acyl thioesterthiolactonealcoholthiocarboxylic acid or derivativessulfenyl compoundthiocarboxylic acid estercarboxamide groupn-acyl-aminebeta amino acid or derivativessecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
