DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:56:34 UTC
Update Date	2025-03-25 00:52:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02193368
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₈N₂O₆
Molecular Mass	380.1947
SMILES	CCCCCC=CC=CC=CC(=O)C(NC(=O)CCC(N)C(=O)O)C(=O)O
InChI Key	UVWWEJWVVWYVKX-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	1,3-dicarbonyl compounds acryloyl compounds alpha amino acids amino fatty acids beta-hydroxy ketones beta-keto acids and derivatives carboxylic acids dicarboxylic acids and derivatives enones glutamine and derivatives hydrocarbon derivatives keto fatty acids long-chain fatty acids monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides b'-hydroxy-alpha,beta-unsaturated ketones
Substituents	fatty acyl beta-hydroxy ketone aliphatic acyclic compound carbonyl group long-chain fatty acid carboxylic acid keto fatty acid glutamine or derivatives b'-hydroxy-alpha,beta-unsaturated-ketone fatty amide alpha-amino acid or derivatives alpha,beta-unsaturated ketone beta-keto acid ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives enone n-acyl-alpha-amino acid carboxamide group amino fatty acid n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound keto acid dicarboxylic acid or derivatives hydrocarbon derivative acryloyl-group primary aliphatic amine organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound

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