DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:12:22 UTC
Update Date	2025-03-25 00:58:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02229573
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₂N₂O₄
Molecular Mass	258.158
SMILES	CCCCC(=O)C(=O)NC(CCCCN)C(=O)O
InChI Key	LLCUSRIVIPXFJR-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 carboxylic acids hydrocarbon derivatives ketones medium-chain fatty acids 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 fatty amide fatty acid ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid n-acyl-alpha-amino acid carboxamide group amino fatty acid 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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