DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:12:30 UTC
Update Date	2025-03-21 18:32:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00091973
Frequency	30.5
Structure
Chemical Formula	C₁₀H₂₀N₂O₅
Molecular Mass	248.1372
SMILES	CC(C)CC(NC(=O)C(O)C(N)CO)C(=O)O
InChI Key	XKKCDPXGUBUXKO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid glycopeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids beta amino acids and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives hydroxy fatty acids leucine and derivatives methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary alcohols secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid fatty amide monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative saccharide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid primary alcohol n-acyl-alpha amino acid or derivatives alcohol 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 glycopeptide secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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