DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:16 UTC
Update Date	2025-03-25 00:54:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02206409
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₉ClN₂O₆
Molecular Mass	358.0932
SMILES	NC(CCCC(=O)NC(Cc1ccc(O)c(Cl)c1)C(=O)O)C(=O)O
InChI Key	DTUCUBFMDSTBCR-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	tyrosine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amphetamines and derivatives aryl chlorides carbocyclic fatty acids carbonyl compounds carboxylic acids chlorobenzenes delta amino acids and derivatives dicarboxylic acids and derivatives halogenated fatty acids halophenols hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids o-chlorophenols organic oxides organochlorides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid organochloride fatty amide 1-hydroxy-2-unsubstituted benzenoid fatty acid organohalogen compound medium-chain hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives medium-chain fatty acid hydroxy fatty acid amphetamine or derivatives n-acyl-alpha amino acid or derivatives aryl chloride 2-chlorophenol chlorobenzene halogenated fatty acid tyrosine or derivatives n-acyl-alpha-amino acid carboxamide group n-acyl-amine aryl halide aromatic homomonocyclic compound 2-halophenol secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound halobenzene organooxygen compound

Showing information for DMID02206409