DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:03:00 UTC
Update Date	2025-03-21 18:07:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00069359
Frequency	43.5
Structure
Chemical Formula	C₁₂H₁₅ClN₂O₄
Molecular Mass	286.072
SMILES	NCCC(=O)NC(Cc1ccc(O)c(Cl)c1)C(=O)O
InChI Key	CNWLOTHGTRBDEM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amphetamines and derivatives aryl chlorides beta amino acids and derivatives 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 carboxylic acid derivative 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 n-acyl-alpha-amino acid carboxamide group beta amino acid or derivatives aryl halide aromatic homomonocyclic compound 2-halophenol secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hybrid peptide phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound halobenzene organooxygen compound

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