DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:31 UTC
Update Date	2025-03-25 00:53:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02197813
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₄N₄O₃
Molecular Mass	320.1848
SMILES	CCC(C)C(NC(=O)C(Cc1ccccc1)N=C(N)N)C(=O)O
InChI Key	JWZCOXQEOHIXIS-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 acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids fatty amides guanidines hydrocarbon derivatives isoleucine and derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid guanidine fatty amide propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives amphetamine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid organic 1,3-dipolar compound carboximidamide carboxamide group 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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