| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:51:25 UTC |
|---|
| Update Date | 2025-03-21 18:03:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00041908 |
|---|
| Frequency | 81.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H19ClN4O2 |
|---|
| Molecular Mass | 298.1197 |
|---|
| SMILES | N=C(NCCCCC(N)C(=O)O)Nc1ccc(Cl)cc1 |
|---|
| InChI Key | ASWUWDYZWSPEEN-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 homomonocyclic compounds |
|---|
| Alternative Parents | aryl chloridescarbocyclic fatty acidscarbonyl compoundscarboximidamidescarboxylic acidschlorobenzenesguanidineshalogenated fatty acidshydrocarbon derivativesiminesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compounds |
|---|
| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidguanidineimineorganochloridefatty acidorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidaryl chloridechlorobenzenehalogenated fatty acidcarboximidamidearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
|---|
