| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:22:05 UTC |
|---|
| Update Date | 2025-03-21 18:37:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00115394 |
|---|
| Frequency | 22.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H18N2O5S |
|---|
| Molecular Mass | 290.0936 |
|---|
| SMILES | COC(=O)CCCCC1C2NC(=O)NC2CS1(=O)=O |
|---|
| InChI Key | TWBSBYRFNWHOTD-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 | azacyclic compoundscarbonyl compoundsfatty acid methyl estershydrocarbon derivativesimidazolidinonesmethyl estersmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfonesthienoimidazolidinesthiolanesthiophenes |
|---|
| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupthiophenecarboxylic acid derivativealiphatic heteropolycyclic compoundimidazolidinoneorganic oxidemethyl esterbiotin_derivativeorganonitrogen compoundorganopnictogen compoundcarbonic acid derivativeazacyclebiotinthienoimidazolidinefatty acid estermonocarboxylic acid or derivativesfatty acid methyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundsulfone |
|---|
