DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:35:06 UTC
Update Date	2025-03-21 17:56:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00004093
Frequency	1410.6
Structure
Chemical Formula	C₁₀H₁₈N₂O₅
Molecular Mass	246.1216
SMILES	CCC(C)C(NC(=O)CC(N)C(=O)O)C(=O)O
InChI Key	LINGSRBTYZDMNT-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 asparagine and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives isoleucine and derivatives methyl-branched fatty acids monoalkylamines 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 carboxylic acid fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine 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 secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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