| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:04:18 UTC |
|---|
| Update Date | 2025-03-25 00:55:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02211264 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H11N3O3S |
|---|
| Molecular Mass | 229.0521 |
|---|
| SMILES | CC(=O)NC1NC(=O)C2CSCN2C1=O |
|---|
| InChI Key | SIOXDPZHMLIPDO-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 | cyclic peptides |
|---|
| Geometric Descriptor | aliphatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2,5-dioxopiperazinesacetamidesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylthioethersdipeptideshydrocarbon derivativeslactamsn-acyl-alpha amino acidsn-alkylpiperazinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestertiary carboxylic acid amidesthiazolidinesthiohemiaminal derivatives |
|---|
| Substituents | carbonyl grouplactamalpha-amino acid or derivatives2,5-dioxopiperazinealiphatic heteropolycyclic compoundorganic oxidedioxopiperazinepiperazinetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidhemithioaminalorganopnictogen compoundorganoheterocyclic compoundacetamiden-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino aciddialkylthioethern-alkylpiperazinecarboxamide groupalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundcyclic alpha peptidethioether1,4-diazinanehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundthiazolidine |
|---|
