DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:09:46 UTC
Update Date	2025-03-21 18:31:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00085558
Frequency	44.7
Structure
Chemical Formula	C₁₄H₂₀N₂O₄
Molecular Mass	280.1423
SMILES	NCC(O)CCC(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	KQSYLFFPGDTBQU-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 amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids delta amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylpropanoic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid fatty amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives amphetamine or derivatives n-acyl-alpha amino acid or derivatives alcohol n-acyl-alpha-amino acid carboxamide group n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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