DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:21:06 UTC
Update Date	2025-03-21 18:36:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00113019
Frequency	23.4
Structure
Chemical Formula	C₁₃H₂₇N₃O₃
Molecular Mass	273.2052
SMILES	CNCCCCC(NC(=O)C(N)CC(C)C)C(=O)O
InChI Key	HDYWICISSWLKRR-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 amino acids amino fatty acids branched fatty acids carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives leucine and derivatives medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid amino acid or derivatives amino acid fatty amide fatty acid alpha-amino acid or derivatives organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid n-acyl-alpha amino acid or derivatives secondary aliphatic amine alpha-amino acid amide n-acyl-alpha-amino acid secondary amine carboxamide group amino fatty acid branched fatty acid n-acyl-amine alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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