| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:13:47 UTC |
|---|
| Update Date | 2025-03-25 00:58:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02232785 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H13N3O3S |
|---|
| Molecular Mass | 243.0678 |
|---|
| SMILES | CCC(=O)Nc1nc(CC(N)C(=O)O)cs1 |
|---|
| InChI Key | GQBYQRRSNHQHPY-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 | 2,4-disubstituted thiazolesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
|---|
| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundn-arylamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazoleazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compound2,4-disubstituted 1,3-thiazolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiazoleorganooxygen compound |
|---|
