DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:11:06 UTC
Update Date	2025-03-25 00:57:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02226827
Frequency	0.5
Structure
Chemical Formula	C₁₉H₃₀ClN₇O₃
Molecular Mass	439.2099
SMILES	CC(C)CC(NC(=O)C(N)CCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)C(=O)O
InChI Key	FCUGPKGBYKHWGP-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	dipeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-arylbiguanides alpha amino acid amides alpha amino acids arginine and derivatives aryl chlorides carbonyl compounds carboximidamides carboxylic acids chlorobenzenes hydrocarbon derivatives imines leucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organochlorides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid guanidine imine organochloride fatty amide alpha-amino acid or derivatives organohalogen compound organic oxide arginine or derivatives leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound 1-arylbiguanide n-acyl-alpha amino acid or derivatives aryl chloride chlorobenzene alpha-amino acid amide n-acyl-alpha-amino acid carboximidamide carboxamide group n-acyl-amine aryl halide aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide arylbiguanide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound biguanide halobenzene organooxygen compound

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