| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:30:49 UTC |
|---|
| Update Date | 2025-03-21 18:41:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00135931 |
|---|
| Frequency | 18.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C24H28N2O6S |
|---|
| Molecular Mass | 472.1668 |
|---|
| SMILES | COc1ccc(C2Sc3ccccc3N(CCCCC(N)C(=O)O)C(=O)C2OC(C)=O)cc1 |
|---|
| InChI Key | IYIMYWLADRXCGA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzothiazepines |
|---|
| Subclass | benzothiazepines |
|---|
| Direct Parent | benzothiazepines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersalkylarylthioethersalpha amino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativeslactamsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethoxybenzenesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundstertiary carboxylic acid amides |
|---|
| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupetherlactamcarboxylic acidheterocyclic fatty acidfatty acidalpha-amino acid or derivativesalkyl aryl etheralkylarylthioethercarboxylic acid derivativemedium-chain hydroxy acidaryl thioetherorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidbenzothiazepineazacyclecarboxamide groupmethoxybenzeneorganic oxygen compoundthioetheranisolecarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
