| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:17:44 UTC |
|---|
| Update Date | 2025-03-21 18:35:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00104784 |
|---|
| Frequency | 25.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H15ClN4O3 |
|---|
| Molecular Mass | 298.0833 |
|---|
| SMILES | N=C(NC(=O)CCC(N)C(=O)O)Nc1ccc(Cl)cc1 |
|---|
| InChI Key | MVJMENGECSIJAS-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 | glutamine and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alpha amino acidsaryl chloridescarbonyl compoundscarboximidamidescarboxylic acidschlorobenzenesguanidineshydrocarbon derivativesiminesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganochloridesorganopnictogen compounds |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidglutamine or derivativesguanidineimineorganochlorideorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenecarboximidamiden-acyl-aminearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
|---|
