| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:56:42 UTC |
|---|
| Update Date | 2025-03-25 00:52:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02193694 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H11NO2S |
|---|
| Molecular Mass | 185.051 |
|---|
| SMILES | CN(C)Cc1ccc(C(=O)O)s1 |
|---|
| InChI Key | MRIADWLEOQOBHL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | thiophenes |
|---|
| Subclass | thiophene carboxylic acids and derivatives |
|---|
| Direct Parent | thiophene carboxylic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 2,5-disubstituted thiophenesamino acidsaralkylaminescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundstrialkylamines |
|---|
| Substituents | 2,5-disubstituted thiophenecarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidthiophene carboxylic acidheteroaromatic compoundtertiary aliphatic aminecarboxylic acid derivativearalkylamineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaminetertiary amineorganooxygen compound |
|---|
