| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:02:12 UTC |
|---|
| Update Date | 2025-03-25 00:54:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02206247 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H23N3O6S2 |
|---|
| Molecular Mass | 393.1028 |
|---|
| SMILES | NC(CCSC(=O)CCCCC1C2NC(=O)NC2CS1(=O)=O)C(=O)O |
|---|
| InChI Key | FUJDCDMGTBMTOU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | biotin and derivatives |
|---|
| Subclass | biotin and derivatives |
|---|
| Direct Parent | biotin and derivatives |
|---|
| Geometric Descriptor | aliphatic heteropolycyclic compounds |
|---|
| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarbothioic s-esterscarboxylic acidsfatty acyl thioestersheterocyclic fatty acidshydrocarbon derivativesimidazolidinonesmonoalkylaminesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundssulfonesthia fatty acidsthienoimidazolidinesthioestersthiolactonesthiolanesthiophenes |
|---|
| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidalpha-amino acid or derivativesthiopheneorganosulfur compoundcarboxylic acid derivativecarbothioic s-esteraliphatic heteropolycyclic compoundimidazolidinoneorganic oxidebiotin_derivativeorganonitrogen compoundalpha-amino acidorganopnictogen compoundfatty acyl thioesterthiolactonethiocarboxylic acid or derivativescarbonic acid derivativesulfenyl compoundazacyclethiocarboxylic acid esterthienoimidazolidinemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundsulfone |
|---|
