DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:33 UTC
Update Date	2025-03-25 00:59:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02239055
Frequency	0.5
Structure
Chemical Formula	C₈H₁₅N₃O₅
Molecular Mass	233.1012
SMILES	NC(CC(=O)NCC(=O)O)CC(N)C(=O)O
InChI Key	UJSOKSMWVDXSDE-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 beta amino acids and derivatives carbonyl compounds carboxylic acids delta amino acids and derivatives dicarboxylic acids and derivatives hydrocarbon derivatives medium-chain 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 delta amino acid or derivatives medium-chain fatty acid n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group amino fatty acid n-acyl-amine beta amino acid or derivatives n-acylglycine 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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