DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:57:07 UTC
Update Date	2025-03-25 00:52:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02194591
Frequency	0.5
Structure
Chemical Formula	C₂₆H₄₆N₂O₆
Molecular Mass	482.3356
SMILES	CCCCCCCCCCCCCCC=CC(=O)C(CCC(=O)O)NC(=O)CCC(N)C(=O)O
InChI Key	UTGCRQNVGCGMMC-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	glutamine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acryloyl compounds alpha amino acids amino fatty acids carboxylic acids dicarboxylic acids and derivatives enones gamma amino acids and derivatives hydrocarbon derivatives ketones long-chain fatty acids monoalkylamines n-acyl amines 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 gamma amino acid or derivatives fatty amide alpha,beta-unsaturated ketone ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound enone carboxamide group amino fatty acid n-acyl-amine secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative acryloyl-group primary aliphatic amine organic nitrogen compound organooxygen compound

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