DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:01:56 UTC
Update Date	2025-03-25 00:54:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205661
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₄N₂O₃
Molecular Mass	280.1787
SMILES	NCCCCC(=O)NC(Cc1ccccc1)C(O)CO
InChI Key	FGZSWYBRTJQHBM-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	delta amino acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1,2-diols amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds primary alcohols secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group fatty amide organic oxide organonitrogen compound organopnictogen compound delta amino acid or derivatives primary alcohol amphetamine or derivatives 1,2-diol alcohol carboxamide group n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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