| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:35:50 UTC |
|---|
| Update Date | 2025-03-21 17:57:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00005780 |
|---|
| Frequency | 913.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C5H7NO2S |
|---|
| Molecular Mass | 145.0197 |
|---|
| SMILES | O=C(O)CCCN=C=S |
|---|
| InChI Key | RYKZJWRREHJQMQ-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 | gamma amino acids and derivatives |
|---|
| Geometric Descriptor | aliphatic acyclic compounds |
|---|
| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesisothiocyanatesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsstraight chain fatty acids |
|---|
| Substituents | fatty acylaliphatic acyclic compoundisothiocyanatecarbonyl groupstraight chain fatty acidcarboxylic acidgamma amino acid or derivativesfatty acidorganic 1,3-dipolar compoundorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
|---|
