DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:54 UTC
Update Date	2025-03-25 00:48:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02169073
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₈N₂O₈
Molecular Mass	364.1846
SMILES	CC(C)CC(N)C(=O)NC(C)C(=O)OC1OC(CO)C(O)C(O)C1O
InChI Key	KGMMACXJYCLECK-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	peptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals alanine and derivatives alpha amino acid amides alpha amino acids alpha-amino acyl ester of carbohydrates carbonyl compounds carboxylic acid esters hydrocarbon derivatives leucine and derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group fatty amide monosaccharide alpha-amino acid or derivatives alpha peptide saccharide organic oxide acetal leucine or derivatives aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound oxane primary alcohol organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide alpha-amino acid ester n-acyl-alpha-amino acid carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound carboxylic acid ester alpha-amino acyl ester of carbohydrate secondary alcohol alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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