| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:47:47 UTC |
|---|
| Update Date | 2025-03-21 18:01:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00033229 |
|---|
| Frequency | 109.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H12N2O3S |
|---|
| Molecular Mass | 216.0569 |
|---|
| SMILES | CC(=O)NC(CCCN=C=S)C(=O)O |
|---|
| InChI Key | JJHZNUOSUFFOLD-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 | n-acyl-alpha amino acids |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | acetamidesalpha amino acidscarbonyl compoundscarboxylic acidsfatty acids and conjugateshydrocarbon derivativesisothiocyanatesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amides |
|---|
| Substituents | aliphatic acyclic compoundisothiocyanatecarbonyl groupcarboxylic acidfatty acidorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamiden-acyl-alpha-amino acidorganic 1,3-dipolar compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
