DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:53:35 UTC
Update Date	2025-03-21 18:03:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00047163
Frequency	81.4
Structure
Chemical Formula	C₁₁H₁₃ClN₂O₄
Molecular Mass	272.0564
SMILES	NCC(=O)NC(Cc1ccc(O)c(Cl)c1)C(=O)O
InChI Key	AFPNASDZWSCOJU-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-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives aryl chlorides carbonyl compounds carboxylic acids chlorobenzenes halophenols hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids o-chlorophenols organic oxides organochlorides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides tyrosine and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid organochloride 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives organohalogen compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives aryl chloride 2-chlorophenol chlorobenzene tyrosine or derivatives alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group aryl halide aromatic homomonocyclic compound alpha-dipeptide 2-halophenol secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound halobenzene organooxygen compound

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