| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:23:47 UTC |
|---|
| Update Date | 2025-03-21 18:38:12 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00119507 |
|---|
| Frequency | 21.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H20N3O3+ |
|---|
| Molecular Mass | 266.1499 |
|---|
| SMILES | CC(=O)Nc1ccc[n+](CCCCC(N)C(=O)O)c1 |
|---|
| InChI Key | JPTCCNIDTDOSAB-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 | acetamidesamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxypyridinesmedium-chain fatty acidsmethylpyridinesmonoalkylaminesmonocarboxylic acids and derivativesn-acetylarylaminesorganic cationsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
|---|
| Substituents | fatty acylcarbonyl groupcarboxylic acidn-acetylarylaminearomatic heteromonocyclic compoundheterocyclic fatty acidfatty acidn-arylamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganic cationorganoheterocyclic compoundacetamideazacycleheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupamino fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
|---|
