DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:36 UTC
Update Date	2025-03-21 18:38:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00121387
Frequency	21.4
Structure
Chemical Formula	C₁₁H₂₁N₃O₄
Molecular Mass	259.1532
SMILES	CC(C)CC(N)C(=O)NC(CCCN=O)C(=O)O
InChI Key	FSCGHXHZUDRADI-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	dipeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids branched fatty acids c-nitroso compounds carbonyl compounds carboxylic acids hydrocarbon derivatives leucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid alpha-amino acid or derivatives propargyl-type 1,3-dipolar organic compound organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives organic nitroso compound alpha-amino acid amide n-acyl-alpha-amino acid organic 1,3-dipolar compound carboxamide group branched fatty acid n-acyl-amine alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound c-nitroso compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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