DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:39 UTC
Update Date	2025-03-25 01:00:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02241606
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₁N₃O₃
Molecular Mass	279.1583
SMILES	CC(N)C(=O)NC(Cc1ccc(N(C)C)cc1)C(=O)O
InChI Key	UJWDYHKORCXFTK-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	alanine and derivatives alpha amino acid amides alpha amino acids amino acids amphetamines and derivatives aniline and substituted anilines carbonyl compounds carboxylic acids dialkylarylamines hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid or derivatives amino acid alpha-amino acid or derivatives organic oxide tertiary aliphatic/aromatic amine organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine tertiary amine amphetamine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid aniline or substituted anilines carboxamide group aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound alanine or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound amine organooxygen compound

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