| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:02:03 UTC |
|---|
| Update Date | 2025-03-25 00:54:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02205930 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H18N4O5S2 |
|---|
| Molecular Mass | 362.0719 |
|---|
| SMILES | NC(CCC(=O)NC(CSCc1c[nH]c(=S)[nH]1)C(=O)O)C(=O)O |
|---|
| InChI Key | HHAYPBQFBCRCLJ-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 | dipeptides |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersdicarboxylic acids and derivativesglutamine and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidazolethionesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthioureas |
|---|
| Substituents | fatty acylcarbonyl groupthioureacarboxylic acidglutamine or derivativesaromatic heteromonocyclic compoundfatty amideimidazole-2-thionealpha-amino acid or derivativesorganosulfur compoundorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolen-acyl-alpha amino acid or derivativessulfenyl compoundazacyclen-acyl-alpha-amino aciddialkylthioetherheteroaromatic compoundcarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundthioethercysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
