DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:02:23 UTC
Update Date	2025-03-21 18:07:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00067863
Frequency	44.7
Structure
Chemical Formula	C₁₀H₂₀N₂O₃
Molecular Mass	216.1474
SMILES	CCC(C)C(N)C(=O)NC(C)C(=O)OC
InChI Key	FCQQYMLKPAVCGT-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	peptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alanine and derivatives alpha amino acid amides alpha amino acid esters alpha amino acids carbonyl compounds hydrocarbon derivatives isoleucine and derivatives methyl esters monoalkylamines monocarboxylic acids and derivatives 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 fatty amide alpha-amino acid or derivatives alpha peptide organic oxide methyl ester organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide alpha-amino acid ester n-acyl-alpha-amino acid carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound carboxylic acid ester alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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