DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:57 UTC
Update Date	2025-03-25 00:59:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02239992
Frequency	0.5
Structure
Chemical Formula	C₉H₁₇N₃O₄
Molecular Mass	231.1219
SMILES	NCCCC(=O)NC(CCCN=O)C(=O)O
InChI Key	HJKHWHBSQDMRRB-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	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids c-nitroso compounds carbonyl compounds carboxylic acids fatty acids and conjugates gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines 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 gamma amino acid or derivatives fatty amide fatty acid propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic nitroso compound n-acyl-alpha-amino acid organic 1,3-dipolar compound carboxamide group n-acyl-amine 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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