DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:30 UTC
Update Date	2025-03-21 18:41:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00135187
Frequency	18.6
Structure
Chemical Formula	C₁₆H₃₂N₄O₄
Molecular Mass	344.2424
SMILES	CC(C)CC(NC(=O)C(CCCCN)NC(=O)CCCN)C(=O)O
InChI Key	MKJLGMQYQRNMTQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	dipeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids carbonyl compounds carboxylic acids gamma amino acids and derivatives hydrocarbon derivatives leucine and derivatives methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives 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 gamma amino acid or derivatives fatty amide fatty acid alpha-amino acid or derivatives organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives methyl-branched fatty acid alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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