DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:19:21 UTC
Update Date	2025-03-25 01:00:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02245598
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₁N₃O₃
Molecular Mass	279.1583
SMILES	CCNCCC(=O)Nc1ccc(CC(N)C(=O)O)cc1
InChI Key	YRSAGHVNDJCSCK-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	phenylalanine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amino acids amphetamines and derivatives anilides beta amino acids and derivatives carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-arylamides organic oxides organopnictogen compounds phenylpropanoic acids secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid n-arylamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives secondary aliphatic amine secondary amine carboxamide group beta amino acid or derivatives aromatic homomonocyclic compound anilide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound amine

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