| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:37:43 UTC |
|---|
| Update Date | 2025-03-25 00:45:39 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02150491 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H26N3O2S+ |
|---|
| Molecular Mass | 348.174 |
|---|
| SMILES | Cc1ncc(C[n+]2csc(CCCC(N)C(=O)O)c2C)c(C)c1C |
|---|
| InChI Key | NRZDIOPOYPJBAN-UHFFFAOYSA-O |
|---|
| 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-halopyridines4,5-disubstituted thiazolesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxypyridinesmedium-chain fatty acidsmethylpyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidpolyhalopyridinefatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acid2-halopyridineorganic cationorganoheterocyclic compoundazoleazacycleheteroaromatic compoundhydroxypyridinemethylpyridine4,5-disubstituted 1,3-thiazolemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiazoleorganooxygen compound |
|---|
