| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:26:57 UTC |
|---|
| Update Date | 2025-03-21 18:39:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00126925 |
|---|
| Frequency | 20.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C23H28N4O2S |
|---|
| Molecular Mass | 424.1933 |
|---|
| SMILES | NC(CCCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1)C(=O)O |
|---|
| InChI Key | ZGRFIXCGALRUIZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzothiazepines |
|---|
| Subclass | dibenzothiazepines |
|---|
| Direct Parent | dibenzothiazepines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha amino acidsamidinesamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdiarylthioethersheterocyclic fatty acidshydrocarbon derivativesimidolactamsmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-alkylpiperazinesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstrialkylamines |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidfatty acidalpha-amino acid or derivativesamidinecarboxylic acid derivativearyl thioetherpropargyl-type 1,3-dipolar organic compounddibenzothiazepineorganic oxidepiperazinearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidimidolactamtertiary aminediarylthioetherazacyclen-alkylpiperazinetertiary aliphatic amineorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioether1,4-diazinanehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
|---|
