DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:41:41 UTC
Update Date	2025-03-21 17:59:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00019081
Frequency	247.8
Structure
Chemical Formula	C₉H₁₆N₂O₆
Molecular Mass	248.1008
SMILES	NC(CCCC(=O)NC(CO)C(=O)O)C(=O)O
InChI Key	UILYTGUGUVYNNK-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 amino fatty acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acids delta amino acids and derivatives dicarboxylic acids and derivatives hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds primary alcohols secondary carboxylic acid amides serine and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid medium-chain hydroxy acid beta-hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives medium-chain fatty acid hydroxy fatty acid primary alcohol alcohol n-acyl-alpha-amino acid hydroxy acid carboxamide group amino fatty acid n-acyl-amine secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound serine or derivatives organooxygen compound

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