DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:29 UTC
Update Date	2025-03-25 00:49:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02172686
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₂N₂O₅
Molecular Mass	274.1529
SMILES	CCCC(CCC(=O)O)NC(=O)CCC(N)C(=O)O
InChI Key	LTIYINBARDKHFK-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	alpha amino acids amino fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives gamma amino acids and derivatives hydrocarbon derivatives medium-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 carboxylic acid glutamine or derivatives gamma amino acid or derivatives fatty amide fatty acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty 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 organooxygen compound

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