| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:40:51 UTC |
|---|
| Update Date | 2025-03-25 00:46:50 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02157664 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H14N2O3S |
|---|
| Molecular Mass | 218.0725 |
|---|
| SMILES | O=C(O)CCC1SCC2NC(O)NC21 |
|---|
| InChI Key | CGWXDUHZZZICCB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic acids and derivatives |
|---|
| Class | carboxylic acids and derivatives |
|---|
| Subclass | amino acids, peptides, and analogues |
|---|
| Direct Parent | delta amino acids and derivatives |
|---|
| Geometric Descriptor | aliphatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkanolaminesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdialkylthioethersfatty acylshydrocarbon derivativeshydroxy fatty acidsimidazolidinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorthocarboxylic acid derivativesthia fatty acidsthienoimidazolidinesthiolanesthiophenes |
|---|
| Substituents | thiolaneimidazolidinefatty acylcarbonyl groupcarboxylic acidamino acidthiophenealiphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compounddelta amino acid or derivativeshydroxy fatty acidorthocarboxylic acid derivativeorganoheterocyclic compoundalkanolaminesecondary aliphatic amineazacycledialkylthioethersecondary aminethienoimidazolidinemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
