DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:36 UTC
Update Date	2025-03-25 00:48:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168412
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₅N₃O₃
Molecular Mass	259.1896
SMILES	CC(C)C(N)C(=O)NC(CCCN)CCC(=O)O
InChI Key	XZAPIUJLYSYTJK-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 amino fatty acids branched fatty acids carbonyl compounds carboxylic acids gamma amino acids and derivatives hydrocarbon derivatives medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides valine and derivatives
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 organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid alpha-amino acid amide valine or derivatives carboxamide group amino fatty acid branched fatty acid n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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