DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:45 UTC
Update Date	2025-03-25 00:57:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223911
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₇Cl₂N₃O₄
Molecular Mass	361.0596
SMILES	NC(=O)CCC(NC(=O)C(N)Cc1ccc(Cl)c(Cl)c1)C(=O)O
InChI Key	XZPKMMLXFHICTM-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	alpha amino acid amides alpha amino acids amphetamines and derivatives aryl chlorides carbonyl compounds carboxylic acids dichlorobenzenes fatty amides glutamine and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organochlorides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives organochloride fatty amide alpha-amino acid or derivatives organohalogen compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound 1,2-dichlorobenzene amphetamine or derivatives n-acyl-alpha amino acid or derivatives aryl chloride chlorobenzene alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group aryl halide aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound halobenzene organooxygen compound

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