DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:05:52 UTC
Update Date	2025-03-25 00:55:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02214891
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₃N₃O₄
Molecular Mass	273.1689
SMILES	CCC(C)C(NC(=O)C(CN)CCC(N)=O)C(=O)O
InChI Key	CMTOEJBEBHXGET-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids beta amino acids and derivatives carbonyl compounds carboxylic acids delta amino acids and derivatives hydrocarbon derivatives isoleucine and derivatives methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives isoleucine or derivatives n-acyl-alpha amino acid or derivatives methyl-branched fatty acid n-acyl-alpha-amino acid carboxamide group branched fatty acid n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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