DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:49:29 UTC
Update Date	2025-03-21 18:02:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00037339
Frequency	94.4
Structure
Chemical Formula	C₁₅H₂₆N₄O₁₀
Molecular Mass	422.1649
SMILES	NC(CCC(=O)NC1C(NC(=O)CC(N)C(=O)O)OC(CO)C(O)C1O)C(=O)O
InChI Key	UGLHFYBPBUBKMI-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	alpha amino acids asparagine and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamine and derivatives heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids monoalkylamines monosaccharides n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes primary alcohols secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	carbonyl group carboxylic acid short-chain hydroxy acid glutamine or derivatives heterocyclic fatty acid fatty amide monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative saccharide organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid asparagine or derivatives oxane primary alcohol organoheterocyclic compound alcohol fatty n-acyl glycoside carboxamide group n-acyl-amine oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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