DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:06:27 UTC
Update Date	2025-03-21 18:29:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00077680
Frequency	37.7
Structure
Chemical Formula	C₂₂H₄₂N₂O₅
Molecular Mass	414.3094
SMILES	CCCCCCCCCCCCCCCC(NC(=O)CCC(N)C(=O)O)C(=O)O
InChI Key	WJGYRRZPTUXQJV-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	dipeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amino fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamine and derivatives hydrocarbon derivatives long-chain fatty acids monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group long-chain fatty acid carboxylic acid glutamine or derivatives fatty amide fatty acid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group amino fatty acid n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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