DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:25:58 UTC
Update Date	2025-03-21 18:39:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00124560
Frequency	20.6
Structure
Chemical Formula	C₁₂H₁₆N₂O₃
Molecular Mass	236.1161
SMILES	NC(CC(=O)NCC(=O)O)Cc1ccccc1
InChI Key	HQULAKLTXYUMIB-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	acyl glycines alpha amino acids amphetamines and derivatives benzene and substituted derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group n-acyl-amine beta amino acid or derivatives n-acylglycine aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hybrid peptide hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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