DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:56:59 UTC
Update Date	2025-03-21 18:05:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00054997
Frequency	58.3
Structure
Chemical Formula	C₂₁H₃₅N₃O₁₆
Molecular Mass	585.2017
SMILES	CC(=O)NC1C(O)CC(OC2C(O)C(CO)OC(NC(=O)CC(N)C(=O)O)C2O)(C(=O)O)OC1C(O)C(O)CO
InChI Key	BLONLUHKIQMAJA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	fatty acyls
Subclass	fatty acyl glycosides
Direct Parent	fatty acyl glycosides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetamides alpha amino acids asparagine and derivatives c-glucuronides carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids ketals monoalkylamines monosaccharides n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols pyran carboxylic acids secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid fatty amide monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative pyran carboxylic acid saccharide organic oxide acetal ketal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid asparagine or derivatives oxane primary alcohol organoheterocyclic compound acetamide c-glucuronide alcohol pyran carboxylic acid or derivatives fatty n-acyl glycoside carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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