| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:45:25 UTC |
|---|
| Update Date | 2025-03-25 00:48:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02167984 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H20N2O3S |
|---|
| Molecular Mass | 284.1195 |
|---|
| SMILES | CC(C)CCC1SCN2C(=O)C(CCC(=O)O)N=C12 |
|---|
| InChI Key | OELMTPVJAJMKIQ-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 | alpha amino acids |
|---|
| Geometric Descriptor | aliphatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsdialkylthioethershydrocarbon derivativesimidazolinonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsthiazolidinesthiohemiaminal derivatives |
|---|
| Substituents | carbonyl groupcarboxylic acidpropargyl-type 1,3-dipolar organic compoundaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundimidazolinoneorganoheterocyclic compoundazacycledialkylthioetherorganic 1,3-dipolar compoundcarboximidamidemonocarboxylic acid or derivativesorganic oxygen compound2-imidazolinethioetherimidazolinehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiazolidine |
|---|
