DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:01 UTC
Update Date	2025-03-25 00:59:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240126
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₇N₅O₈
Molecular Mass	475.2642
SMILES	NC(CCCCNC(=O)CCC(CCCC(N)C(=O)O)NC(=O)CCC(N)C(=O)O)C(=O)O
InChI Key	NMMZPBFAPPDBHJ-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-epsilon-acyl lysines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	carbonyl compounds carboxylic acids gamma amino acids and derivatives glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives gamma amino acid or derivatives n-epsilon-acetyl-lysine fatty amide tricarboxylic acid or derivatives carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxide organic oxygen compound organonitrogen compound organopnictogen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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