DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:10 UTC
Update Date	2025-03-25 00:52:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02196965
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₇N₃O₆
Molecular Mass	357.19
SMILES	CCC=CCCCCC(O)=NC(NC(=O)CCC(N)C(=O)O)C(=O)O
InChI Key	VUYYWASIDFTLLW-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 acids carbonyl compounds carboximidic acids carboxylic acids dicarboxylic acids and derivatives glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carboximidic acid carbonyl group carboxylic acid short-chain hydroxy acid glutamine or derivatives fatty amide alpha-amino acid or derivatives propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid organic 1,3-dipolar compound carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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