DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:35:14 UTC
Update Date	2025-03-21 17:56:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00004386
Frequency	1283.7
Structure
Chemical Formula	C₉H₁₉N₃O₃
Molecular Mass	217.1426
SMILES	NCCCC(=O)NC(CCCN)C(=O)O
InChI Key	PQOISWFOHLXORE-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 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 organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid gamma amino acid or derivatives fatty amide fatty acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha-amino acid carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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