| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:02:17 UTC |
|---|
| Update Date | 2025-03-25 00:54:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02206451 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H20ClN5O2 |
|---|
| Molecular Mass | 373.1306 |
|---|
| SMILES | NC(CCCNc1nc2cccn(Cc3ccc(Cl)cc3)c-2n1)C(=O)O |
|---|
| InChI Key | RSFDCUCETYZKNL-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-halopyridinesamino acidsaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acidschlorobenzenesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundspolyhalopyridinessecondary alkylarylamines |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidpolyhalopyridineorganochlorideimidazopyridineorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundazolearyl chloridechlorobenzeneazacycleheteroaromatic compoundhydroxypyridinesecondary aminesecondary aliphatic/aromatic aminearyl halidemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
|---|
