DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:52:11 UTC
Update Date	2025-03-21 18:03:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00043802
Frequency	77.4
Structure
Chemical Formula	C₉H₁₆N₂O₄
Molecular Mass	216.111
SMILES	CC(=O)NCCCC(=O)NC(C)C(=O)O
InChI Key	OALCADAYENZHRA-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	acetamides alanine and derivatives alpha amino acids carbonyl compounds carboxylic acids gamma amino acids and derivatives hydrocarbon derivatives 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 organic oxide organonitrogen compound alpha-amino acid organopnictogen compound acetamide n-acyl-alpha-amino acid carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound alanine or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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