| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:48:12 UTC |
|---|
| Update Date | 2025-03-21 18:01:41 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00034218 |
|---|
| Frequency | 105.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H19N5O5 |
|---|
| Molecular Mass | 337.1386 |
|---|
| SMILES | NC(CCCNc1nc2cccn(CC(O)C(=O)O)c-2n1)C(=O)O |
|---|
| InChI Key | KSXNMQDNQLDFGW-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-halopyridinesalpha hydroxy acids and derivativesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesmonoalkylaminesorganic oxidesorganopnictogen compoundspolyhalopyridinessecondary alcoholssecondary alkylarylamines |
|---|
| Substituents | carbonyl groupcarboxylic acidamino acidpolyhalopyridinealpha-hydroxy acidimidazopyridineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundazolealcoholazacycleheteroaromatic compoundhydroxypyridinehydroxy acidsecondary aminesecondary aliphatic/aromatic aminepyridineorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
|---|
