DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:54 UTC
Update Date	2025-03-25 00:49:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02171359
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₆N₂O₁₃
Molecular Mass	512.2217
SMILES	CC(=O)NC(CCCCNCC1(O)OC(COC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(=O)O
InChI Key	KQCDSMHMCNPAHY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lipids and lipid-like molecules
Class	saccharolipids
Subclass	saccharolipids
Direct Parent	saccharolipids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	acetals acetamides alpha amino acids amino acids amino fatty acids carbonyl compounds carboxylic acids dialkylamines hemiacetals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids organic oxides organopnictogen compounds oxacyclic compounds oxanes primary alcohols secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	fatty acyl carbonyl group carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid monosaccharide fatty acid alpha-amino acid or derivatives carboxylic acid derivative medium-chain hydroxy acid saccharide organic oxide acetal aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal medium-chain fatty acid hydroxy fatty acid oxane primary alcohol organoheterocyclic compound acetamide n-acyl-alpha amino acid or derivatives alcohol secondary aliphatic amine n-acyl-alpha-amino acid tetrahydrofuran secondary amine carboxamide group amino fatty acid oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organic nitrogen compound saccharolipid organooxygen compound amine

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