DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:36:17 UTC
Update Date	2025-03-21 17:57:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00006773
Frequency	776.9
Structure
Chemical Formula	C₁₀H₁₉N₃O₅
Molecular Mass	261.1325
SMILES	NCCCCC(NC(=O)CC(N)C(=O)O)C(=O)O
InChI Key	QGNYWQOMJSTUQZ-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 amino fatty acids asparagine and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives medium-chain 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 medium-chain fatty acid asparagine or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group amino 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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