| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:46:50 UTC |
|---|
| Update Date | 2025-03-21 18:01:05 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00030935 |
|---|
| Frequency | 119.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14ClN5O4 |
|---|
| Molecular Mass | 327.0734 |
|---|
| SMILES | N=C(NC(=N)NC(CC(=O)O)C(=O)O)Nc1ccc(Cl)cc1 |
|---|
| InChI Key | ULGVRYCLNWUEKA-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 | aspartic acid and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-arylbiguanidesalpha amino acidsaryl chloridescarbonyl compoundscarboximidamidescarboxylic acidschlorobenzenesdicarboxylic acids and derivativeshydrocarbon derivativesiminesorganic oxidesorganochloridesorganopnictogen compounds |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidguanidineimineorganochlorideorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound1-arylbiguanidearyl chloridechlorobenzenecarboximidamidearyl halidearomatic homomonocyclic compoundarylbiguanideorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundbiguanidehalobenzeneorganooxygen compound |
|---|
