DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:58 UTC
Update Date	2025-03-25 00:59:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240025
Frequency	0.5
Structure
Chemical Formula	C₉H₁₉N₃O₃
Molecular Mass	217.1426
SMILES	NCCCC(=O)NC(CN)CCC(=O)O
InChI Key	PEEUBLOADHIYOI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	peptidomimetics
Direct Parent	peptidomimetics
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	carbonyl compounds carboxylic acids delta amino acids and derivatives 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 carboxamide group carboxylic acid derivative non-alpha peptide n-acyl-amine secondary carboxylic acid amide organic oxide monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound organopnictogen compound delta amino acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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