DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:06:20 UTC
Update Date	2025-03-25 00:56:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02215964
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₂N₂O₆
Molecular Mass	302.1478
SMILES	CCCCC(O)=NC(CCCC(=O)O)C(=O)NCC(=O)O
InChI Key	FEBDHESMRMJTFQ-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	acyl glycines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino fatty acids carbonyl compounds carboximidic acids carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives medium-chain fatty acids medium-chain hydroxy acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carboximidic acid carbonyl group carboxylic acid fatty amide fatty acid medium-chain hydroxy acid propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid alpha-amino acid amide organic 1,3-dipolar compound carboxamide group amino fatty acid n-acyl-amine n-acylglycine secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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