DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:17 UTC
Update Date	2025-03-25 00:45:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151786
Frequency	0.5
Structure
Chemical Formula	C₉H₁₆N₂O₆
Molecular Mass	248.1008
SMILES	NC(CCC(=O)O)C(O)CC(=O)NCC(=O)O
InChI Key	KUEIAZJKLVHXEV-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	acyl glycines alpha amino acids amino fatty acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives gamma amino acids and derivatives hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid gamma amino acid or derivatives fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative medium-chain hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid n-acyl-alpha amino acid or derivatives alcohol n-acyl-alpha-amino acid carboxamide group amino fatty acid n-acyl-amine n-acylglycine secondary carboxylic acid amide organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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