| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:13:54 UTC |
|---|
| Update Date | 2025-03-21 18:33:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00095377 |
|---|
| Frequency | 29.1 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H24N6O3 |
|---|
| Molecular Mass | 348.191 |
|---|
| SMILES | CC(=O)NCCCn1cccc2nc(NCCCC(N)C(=O)O)nc1-2 |
|---|
| InChI Key | WBQUHBPKHNXNSH-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 | alpha amino acids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 2-halopyridinesacetamidesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesmethylpyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspolyhalopyridinessecondary alkylarylaminessecondary carboxylic acid amides |
|---|
| Substituents | carbonyl groupcarboxylic acidamino acidpolyhalopyridineimidazopyridineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundacetamideazoleazacycleheteroaromatic compoundhydroxypyridinemethylpyridinesecondary aminecarboxamide groupsecondary aliphatic/aromatic aminesecondary carboxylic acid amidemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
|---|
