| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:35 UTC |
|---|
| Update Date | 2025-03-25 00:53:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02200312 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H30ClN7O4 |
|---|
| Molecular Mass | 455.2048 |
|---|
| SMILES | N=C(NC(=NCCCCC(N)C(=O)O)NCCCC(N)C(=O)O)Nc1ccc(Cl)cc1 |
|---|
| InChI Key | ONBNZVODWOWLMS-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 chloridescarbocyclic fatty acidscarbonyl compoundscarboximidamidescarboxylic acidschlorobenzenesdicarboxylic acids and derivativeshalogenated fatty acidshydrocarbon derivativesiminesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganochloridesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidguanidineimineorganochloridefatty acidorganohalogen compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidearginine or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acid1-arylbiguanidearyl chloridechlorobenzenehalogenated fatty acidorganic 1,3-dipolar compoundcarboximidamidearyl halidearomatic homomonocyclic compoundarylbiguanideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundbiguanidehalobenzeneorganooxygen compound |
|---|
