DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:09 UTC
Update Date	2025-03-25 00:49:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02171942
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₂N₄O₄
Molecular Mass	334.1641
SMILES	CN=C(N)NCCCC(=O)C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	XMYGEWNJYFZCRA-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 carboximidamides carboxylic acids guanidines hydrocarbon derivatives imines ketones monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid guanidine imine fatty amide propargyl-type 1,3-dipolar organic compound ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid organic 1,3-dipolar compound carboximidamide carboxamide group n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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