| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:55:04 UTC |
|---|
| Update Date | 2025-03-21 18:04:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00050660 |
|---|
| Frequency | 64.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H17N3O5S |
|---|
| Molecular Mass | 291.0889 |
|---|
| SMILES | NC(CCCC1C2NC(=O)NC2CS1(=O)=O)C(=O)O |
|---|
| InChI Key | PRQLNRAQOJFRRG-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 compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativesimidazolidinonesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfonesthienoimidazolidinesthiolanesthiophenes |
|---|
| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidalpha-amino acid or derivativesthiophenecarboxylic acid derivativealiphatic heteropolycyclic compoundimidazolidinoneorganic oxidebiotin_derivativeorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidcarbonic acid derivativeazacyclebiotinthienoimidazolidinemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundsulfone |
|---|
