| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:54:38 UTC |
|---|
| Update Date | 2025-03-25 00:51:45 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02189074 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C20H31ClN6O3 |
|---|
| Molecular Mass | 438.2146 |
|---|
| SMILES | CC(C)CC(NC(=O)CCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)C(=O)O |
|---|
| InChI Key | FUXAGXRBUIIHOP-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 | leucine and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-arylbiguanidesalpha amino acidsaryl chloridescarbonyl compoundscarboximidamidescarboxylic acidschlorobenzeneshydrocarbon derivativesiminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganochloridesorganopnictogen compoundssecondary carboxylic acid amides |
|---|
| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidguanidineimineorganochloridefatty amideorganohalogen compoundorganic oxideleucine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compound1-arylbiguaniden-acyl-alpha amino acid or derivativesaryl chloridechlorobenzenen-acyl-alpha-amino acidcarboximidamidecarboxamide groupn-acyl-aminearyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidearylbiguanidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundbiguanidehalobenzeneorganooxygen compound |
|---|
