| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:22:09 UTC |
|---|
| Update Date | 2025-03-21 18:37:24 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00115549 |
|---|
| Frequency | 22.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H16N4O6S |
|---|
| Molecular Mass | 380.0791 |
|---|
| SMILES | O=C(O)C1=CC(=CC=NC(Cc2c[nH]c(=S)[nH]2)C(=O)O)CC(C(=O)O)N1 |
|---|
| InChI Key | RGWHZSZMVDTMMG-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 | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aldiminesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesimidazolesimidazolethionesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstetrahydropyridinesthioureastricarboxylic acids and derivatives |
|---|
| Substituents | carbonyl groupthioureacarboxylic acidaromatic heteromonocyclic compoundamino acidimineimidazole-2-thionetricarboxylic acid or derivativesorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundaldimineorganic oxideimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazolesecondary aliphatic amineazacycleheteroaromatic compoundtetrahydropyridineorganic 1,3-dipolar compoundsecondary amineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
