| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:38:50 UTC |
|---|
| Update Date | 2025-03-21 17:58:11 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00012788 |
|---|
| Frequency | 353.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H22N3O6+ |
|---|
| Molecular Mass | 328.1503 |
|---|
| SMILES | NC(CCC(O)C[n+]1ccc(CC(N)C(=O)O)c(O)c1)C(=O)O |
|---|
| InChI Key | TVYQZQDWIXQOFV-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 | amino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidshydroxypyridinesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary alcohols |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidpolyhalopyridinefatty acidmedium-chain hydroxy acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganic cationorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxypyridineamino fatty acidpyridineorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
