DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:33:58 UTC
Update Date	2025-03-21 17:56:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00001390
Frequency	4267.3
Structure
Chemical Formula	C₁₃H₁₈N₂O₄
Molecular Mass	266.1267
SMILES	NCCCC(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChI Key	VFTIELXQUSIJNU-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	tyrosine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids gamma 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 phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid gamma amino acid or derivatives fatty amide 1-hydroxy-2-unsubstituted benzenoid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives 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 phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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