DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:50 UTC
Update Date	2025-03-21 18:05:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00057024
Frequency	55.7
Structure
Chemical Formula	C₁₁H₂₀N₂O₅
Molecular Mass	260.1372
SMILES	CC(C)C(CC(=O)O)NC(=O)C(N)CCC(=O)O
InChI Key	XNIMHYYMARBREC-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 acid amides alpha amino acids beta amino acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamic acid and derivatives hydrocarbon derivatives methyl-branched 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 fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound methyl-branched fatty acid alpha-amino acid amide glutamic acid or derivatives carboxamide group branched fatty acid n-acyl-amine beta amino acid or derivatives 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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