| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:36:25 UTC |
|---|
| Update Date | 2025-03-21 17:57:19 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00007094 |
|---|
| Frequency | 718.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H19ClN6O2 |
|---|
| Molecular Mass | 326.1258 |
|---|
| SMILES | N=C(NCCCC(N)C(=O)O)NC(=N)Nc1ccc(Cl)cc1 |
|---|
| InChI Key | KBAWITHKJSTAPA-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 | arginine and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-arylbiguanidesalpha amino acidsaryl chloridescarbonyl compoundscarboximidamidescarboxylic acidschlorobenzeneshydrocarbon derivativesiminesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compounds |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidguanidineimineorganochlorideorganohalogen compoundorganic oxidearginine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compound1-arylbiguanidearyl chloridechlorobenzenecarboximidamidearyl halidearomatic homomonocyclic compoundarylbiguanidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundbiguanidehalobenzeneorganooxygen compound |
|---|
